USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=19 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 29 TYR OH : rot 178:sc= 0.629 USER MOD Set 1.2: A 81 THR OG1 : rot 73:sc= 0.0123 USER MOD Set 1.3: A 97 THR OG1 : rot 63:sc= 0.882 USER MOD Set 2.1: A 65 GLN : amide:sc= -1.59 K(o=-3.3,f=-7.5!) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= -1.68 USER MOD Single : A 9 SER OG : rot 180:sc= -0.17 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+ -161:sc= -0.082 (180deg=-0.426) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc=-0.00381 (180deg=-0.0967) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= -0.0539 (180deg=-0.4) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0432 K(o=-0.043,f=-1.3) USER MOD Single : A 53 THR OG1 : rot -48:sc= 1.57 USER MOD Single : A 54 SER OG : rot 180:sc= 0.061 USER MOD Single : A 57 CYS SG : rot 108:sc= -0.0777 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -46:sc= -4.95! USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0391 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.24 K(o=0.24,f=-2.7!) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.782 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.468 USER MOD Single : A 89 HIS : no HD1:sc= -0.661 K(o=0.016,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= -0.132 K(o=-0.13,f=-0.68) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.166) 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 9.659 -5.228 -8.564 1.00 74.13 N ATOM 64 CA VAL A 7 10.146 -6.600 -8.491 1.00 23.12 C ATOM 65 C VAL A 7 11.502 -6.740 -9.173 1.00 13.53 C ATOM 66 O VAL A 7 12.491 -7.115 -8.543 1.00 30.12 O ATOM 67 CB VAL A 7 9.154 -7.584 -9.140 1.00 2.24 C ATOM 68 CG1 VAL A 7 9.582 -9.021 -8.886 1.00 5.32 C ATOM 69 CG2 VAL A 7 7.745 -7.339 -8.618 1.00 55.23 C ATOM 0 HA VAL A 7 10.248 -6.843 -7.433 1.00 23.12 H new ATOM 0 HB VAL A 7 9.154 -7.416 -10.217 1.00 2.24 H new ATOM 0 HG11 VAL A 7 8.869 -9.701 -9.352 1.00 5.32 H new ATOM 0 HG12 VAL A 7 10.572 -9.186 -9.311 1.00 5.32 H new ATOM 0 HG13 VAL A 7 9.612 -9.207 -7.812 1.00 5.32 H new ATOM 0 HG21 VAL A 7 7.056 -8.042 -9.086 1.00 55.23 H new ATOM 0 HG22 VAL A 7 7.728 -7.479 -7.537 1.00 55.23 H new ATOM 0 HG23 VAL A 7 7.441 -6.320 -8.856 1.00 55.23 H new ATOM 79 N LEU A 8 11.541 -6.436 -10.466 1.00 5.25 N ATOM 80 CA LEU A 8 12.778 -6.526 -11.236 1.00 35.03 C ATOM 81 C LEU A 8 13.098 -5.196 -11.910 1.00 41.01 C ATOM 82 O LEU A 8 12.372 -4.747 -12.797 1.00 60.21 O ATOM 83 CB LEU A 8 12.665 -7.630 -12.289 1.00 22.43 C ATOM 84 CG LEU A 8 12.240 -9.007 -11.776 1.00 23.34 C ATOM 85 CD1 LEU A 8 12.247 -10.024 -12.907 1.00 3.33 C ATOM 86 CD2 LEU A 8 13.151 -9.459 -10.644 1.00 5.00 C ATOM 0 H LEU A 8 10.731 -6.125 -11.003 1.00 5.25 H new ATOM 0 HA LEU A 8 13.589 -6.768 -10.549 1.00 35.03 H new ATOM 0 HB2 LEU A 8 11.949 -7.310 -13.046 1.00 22.43 H new ATOM 0 HB3 LEU A 8 13.630 -7.731 -12.785 1.00 22.43 H new ATOM 0 HG LEU A 8 11.224 -8.931 -11.390 1.00 23.34 H new ATOM 0 HD11 LEU A 8 11.942 -10.997 -12.523 1.00 3.33 H new ATOM 0 HD12 LEU A 8 11.553 -9.707 -13.685 1.00 3.33 H new ATOM 0 HD13 LEU A 8 13.251 -10.097 -13.324 1.00 3.33 H new ATOM 0 HD21 LEU A 8 12.834 -10.440 -10.291 1.00 5.00 H new ATOM 0 HD22 LEU A 8 14.178 -9.517 -11.005 1.00 5.00 H new ATOM 0 HD23 LEU A 8 13.095 -8.743 -9.824 1.00 5.00 H new ATOM 98 N SER A 9 14.191 -4.571 -11.484 1.00 1.21 N ATOM 99 CA SER A 9 14.608 -3.291 -12.045 1.00 0.10 C ATOM 100 C SER A 9 15.007 -3.444 -13.510 1.00 21.20 C ATOM 101 O SER A 9 14.807 -4.497 -14.113 1.00 62.53 O ATOM 102 CB SER A 9 15.776 -2.715 -11.243 1.00 0.40 C ATOM 103 OG SER A 9 16.982 -3.399 -11.536 1.00 73.32 O ATOM 0 H SER A 9 14.804 -4.930 -10.752 1.00 1.21 H new ATOM 0 HA SER A 9 13.764 -2.604 -11.987 1.00 0.10 H new ATOM 0 HB2 SER A 9 15.891 -1.655 -11.471 1.00 0.40 H new ATOM 0 HB3 SER A 9 15.561 -2.790 -10.177 1.00 0.40 H new ATOM 0 HG SER A 9 17.714 -3.011 -11.012 1.00 73.32 H new ATOM 109 N GLY A 10 15.573 -2.383 -14.076 1.00 12.31 N ATOM 110 CA GLY A 10 15.992 -2.418 -15.466 1.00 23.52 C ATOM 111 C GLY A 10 16.920 -3.580 -15.761 1.00 11.00 C ATOM 112 O GLY A 10 16.703 -4.330 -16.711 1.00 62.22 O ATOM 0 H GLY A 10 15.749 -1.500 -13.597 1.00 12.31 H new ATOM 0 HA2 GLY A 10 15.112 -2.487 -16.106 1.00 23.52 H new ATOM 0 HA3 GLY A 10 16.494 -1.483 -15.715 1.00 23.52 H new ATOM 116 N GLY A 11 17.961 -3.726 -14.946 1.00 34.01 N ATOM 117 CA GLY A 11 18.911 -4.806 -15.144 1.00 0.03 C ATOM 118 C GLY A 11 18.296 -6.171 -14.906 1.00 53.43 C ATOM 119 O GLY A 11 18.464 -7.082 -15.716 1.00 72.11 O ATOM 0 H GLY A 11 18.163 -3.117 -14.153 1.00 34.01 H new ATOM 0 HA2 GLY A 11 19.302 -4.760 -16.160 1.00 0.03 H new ATOM 0 HA3 GLY A 11 19.757 -4.670 -14.470 1.00 0.03 H new ATOM 123 N GLU A 12 17.583 -6.312 -13.794 1.00 72.00 N ATOM 124 CA GLU A 12 16.943 -7.577 -13.453 1.00 14.11 C ATOM 125 C GLU A 12 15.939 -7.986 -14.527 1.00 24.41 C ATOM 126 O GLU A 12 15.738 -9.173 -14.786 1.00 65.31 O ATOM 127 CB GLU A 12 16.241 -7.470 -12.097 1.00 50.44 C ATOM 128 CG GLU A 12 17.102 -6.843 -11.014 1.00 24.22 C ATOM 129 CD GLU A 12 16.469 -6.936 -9.639 1.00 4.41 C ATOM 130 OE1 GLU A 12 15.483 -6.212 -9.391 1.00 2.14 O ATOM 131 OE2 GLU A 12 16.961 -7.732 -8.812 1.00 64.43 O1- ATOM 0 H GLU A 12 17.434 -5.567 -13.114 1.00 72.00 H new ATOM 0 HA GLU A 12 17.717 -8.342 -13.394 1.00 14.11 H new ATOM 0 HB2 GLU A 12 15.332 -6.880 -12.214 1.00 50.44 H new ATOM 0 HB3 GLU A 12 15.936 -8.466 -11.776 1.00 50.44 H new ATOM 0 HG2 GLU A 12 18.074 -7.336 -10.997 1.00 24.22 H new ATOM 0 HG3 GLU A 12 17.280 -5.796 -11.258 1.00 24.22 H new ATOM 138 N LEU A 13 15.310 -6.995 -15.149 1.00 65.10 N ATOM 139 CA LEU A 13 14.327 -7.249 -16.195 1.00 34.10 C ATOM 140 C LEU A 13 14.963 -7.972 -17.378 1.00 62.25 C ATOM 141 O LEU A 13 14.522 -9.053 -17.770 1.00 2.53 O ATOM 142 CB LEU A 13 13.699 -5.936 -16.663 1.00 52.50 C ATOM 143 CG LEU A 13 12.417 -6.061 -17.488 1.00 52.35 C ATOM 144 CD1 LEU A 13 11.344 -6.794 -16.700 1.00 61.42 C ATOM 145 CD2 LEU A 13 11.922 -4.686 -17.915 1.00 35.40 C ATOM 0 H LEU A 13 15.464 -6.007 -14.946 1.00 65.10 H new ATOM 0 HA LEU A 13 13.549 -7.888 -15.779 1.00 34.10 H new ATOM 0 HB2 LEU A 13 13.484 -5.326 -15.785 1.00 52.50 H new ATOM 0 HB3 LEU A 13 14.437 -5.394 -17.255 1.00 52.50 H new ATOM 0 HG LEU A 13 12.640 -6.640 -18.384 1.00 52.35 H new ATOM 0 HD11 LEU A 13 10.440 -6.873 -17.303 1.00 61.42 H new ATOM 0 HD12 LEU A 13 11.698 -7.793 -16.445 1.00 61.42 H new ATOM 0 HD13 LEU A 13 11.123 -6.243 -15.786 1.00 61.42 H new ATOM 0 HD21 LEU A 13 11.009 -4.794 -18.501 1.00 35.40 H new ATOM 0 HD22 LEU A 13 11.717 -4.083 -17.031 1.00 35.40 H new ATOM 0 HD23 LEU A 13 12.685 -4.196 -18.519 1.00 35.40 H new ATOM 157 N ASP A 14 16.005 -7.370 -17.941 1.00 42.00 N ATOM 158 CA ASP A 14 16.706 -7.957 -19.076 1.00 52.01 C ATOM 159 C ASP A 14 17.110 -9.397 -18.780 1.00 72.40 C ATOM 160 O ASP A 14 16.846 -10.304 -19.572 1.00 12.22 O ATOM 161 CB ASP A 14 17.944 -7.129 -19.423 1.00 45.43 C ATOM 162 CG ASP A 14 18.660 -7.644 -20.656 1.00 31.55 C ATOM 163 OD1 ASP A 14 18.317 -7.199 -21.772 1.00 63.41 O ATOM 164 OD2 ASP A 14 19.563 -8.493 -20.505 1.00 52.54 O1- ATOM 0 H ASP A 14 16.383 -6.475 -17.629 1.00 42.00 H new ATOM 0 HA ASP A 14 16.027 -7.957 -19.929 1.00 52.01 H new ATOM 0 HB2 ASP A 14 17.650 -6.092 -19.584 1.00 45.43 H new ATOM 0 HB3 ASP A 14 18.632 -7.138 -18.577 1.00 45.43 H new ATOM 169 N LYS A 15 17.752 -9.604 -17.636 1.00 63.12 N ATOM 170 CA LYS A 15 18.193 -10.934 -17.233 1.00 73.01 C ATOM 171 C LYS A 15 17.001 -11.869 -17.048 1.00 71.14 C ATOM 172 O LYS A 15 17.058 -13.041 -17.419 1.00 75.22 O ATOM 173 CB LYS A 15 18.999 -10.856 -15.935 1.00 42.12 C ATOM 174 CG LYS A 15 20.469 -10.540 -16.151 1.00 41.04 C ATOM 175 CD LYS A 15 21.127 -10.046 -14.874 1.00 22.41 C ATOM 176 CE LYS A 15 21.741 -8.667 -15.060 1.00 4.13 C ATOM 177 NZ LYS A 15 22.007 -7.998 -13.757 1.00 44.53 N1+ ATOM 0 H LYS A 15 17.979 -8.866 -16.970 1.00 63.12 H new ATOM 0 HA LYS A 15 18.828 -11.334 -18.024 1.00 73.01 H new ATOM 0 HB2 LYS A 15 18.562 -10.092 -15.291 1.00 42.12 H new ATOM 0 HB3 LYS A 15 18.914 -11.805 -15.406 1.00 42.12 H new ATOM 0 HG2 LYS A 15 20.985 -11.432 -16.506 1.00 41.04 H new ATOM 0 HG3 LYS A 15 20.569 -9.783 -16.929 1.00 41.04 H new ATOM 0 HD2 LYS A 15 20.389 -10.011 -14.073 1.00 22.41 H new ATOM 0 HD3 LYS A 15 21.899 -10.751 -14.565 1.00 22.41 H new ATOM 0 HE2 LYS A 15 22.672 -8.757 -15.619 1.00 4.13 H new ATOM 0 HE3 LYS A 15 21.070 -8.048 -15.656 1.00 4.13 H new ATOM 0 HZ1 LYS A 15 22.425 -7.061 -13.927 1.00 44.53 H new ATOM 0 HZ2 LYS A 15 21.115 -7.889 -13.234 1.00 44.53 H new ATOM 0 HZ3 LYS A 15 22.667 -8.576 -13.199 1.00 44.53 H new ATOM 191 N TRP A 16 15.926 -11.342 -16.475 1.00 22.41 N ATOM 192 CA TRP A 16 14.721 -12.130 -16.243 1.00 32.33 C ATOM 193 C TRP A 16 14.207 -12.736 -17.544 1.00 10.12 C ATOM 194 O TRP A 16 14.043 -13.951 -17.651 1.00 1.03 O ATOM 195 CB TRP A 16 13.634 -11.262 -15.606 1.00 64.52 C ATOM 196 CG TRP A 16 12.325 -11.974 -15.442 1.00 65.42 C ATOM 197 CD1 TRP A 16 11.212 -11.833 -16.219 1.00 4.12 C ATOM 198 CD2 TRP A 16 11.995 -12.938 -14.435 1.00 32.32 C ATOM 199 NE1 TRP A 16 10.209 -12.651 -15.756 1.00 13.42 N ATOM 200 CE2 TRP A 16 10.664 -13.339 -14.664 1.00 71.54 C ATOM 201 CE3 TRP A 16 12.694 -13.503 -13.364 1.00 41.44 C ATOM 202 CZ2 TRP A 16 10.021 -14.277 -13.860 1.00 52.45 C ATOM 203 CZ3 TRP A 16 12.054 -14.433 -12.568 1.00 51.20 C ATOM 204 CH2 TRP A 16 10.729 -14.814 -12.819 1.00 43.41 C ATOM 0 H TRP A 16 15.864 -10.373 -16.162 1.00 22.41 H new ATOM 0 HA TRP A 16 14.974 -12.942 -15.561 1.00 32.33 H new ATOM 0 HB2 TRP A 16 13.978 -10.920 -14.630 1.00 64.52 H new ATOM 0 HB3 TRP A 16 13.482 -10.374 -16.220 1.00 64.52 H new ATOM 0 HD1 TRP A 16 11.131 -11.176 -17.072 1.00 4.12 H new ATOM 0 HE1 TRP A 16 9.276 -12.732 -16.161 1.00 13.42 H new ATOM 0 HE3 TRP A 16 13.716 -13.217 -13.163 1.00 41.44 H new ATOM 0 HZ2 TRP A 16 8.999 -14.570 -14.051 1.00 52.45 H new ATOM 0 HZ3 TRP A 16 12.584 -14.874 -11.737 1.00 51.20 H new ATOM 0 HH2 TRP A 16 10.258 -15.545 -12.179 1.00 43.41 H new ATOM 215 N GLU A 17 13.955 -11.881 -18.531 1.00 64.34 N ATOM 216 CA GLU A 17 13.460 -12.335 -19.825 1.00 51.32 C ATOM 217 C GLU A 17 14.420 -13.341 -20.454 1.00 22.23 C ATOM 218 O GLU A 17 14.018 -14.178 -21.262 1.00 52.24 O ATOM 219 CB GLU A 17 13.265 -11.145 -20.767 1.00 11.13 C ATOM 220 CG GLU A 17 12.061 -10.285 -20.419 1.00 70.11 C ATOM 221 CD GLU A 17 11.725 -9.283 -21.507 1.00 62.41 C ATOM 222 OE1 GLU A 17 11.106 -9.688 -22.514 1.00 62.44 O ATOM 223 OE2 GLU A 17 12.081 -8.097 -21.352 1.00 12.33 O1- ATOM 0 H GLU A 17 14.085 -10.872 -18.459 1.00 64.34 H new ATOM 0 HA GLU A 17 12.500 -12.826 -19.665 1.00 51.32 H new ATOM 0 HB2 GLU A 17 14.162 -10.525 -20.747 1.00 11.13 H new ATOM 0 HB3 GLU A 17 13.155 -11.514 -21.787 1.00 11.13 H new ATOM 0 HG2 GLU A 17 11.199 -10.928 -20.244 1.00 70.11 H new ATOM 0 HG3 GLU A 17 12.256 -9.753 -19.488 1.00 70.11 H new ATOM 230 N LYS A 18 15.691 -13.254 -20.075 1.00 33.23 N ATOM 231 CA LYS A 18 16.709 -14.156 -20.599 1.00 64.54 C ATOM 232 C LYS A 18 16.614 -15.527 -19.937 1.00 43.15 C ATOM 233 O LYS A 18 16.577 -16.554 -20.617 1.00 5.43 O ATOM 234 CB LYS A 18 18.104 -13.567 -20.377 1.00 53.52 C ATOM 235 CG LYS A 18 18.823 -13.202 -21.666 1.00 34.14 C ATOM 236 CD LYS A 18 19.719 -14.333 -22.143 1.00 3.43 C ATOM 237 CE LYS A 18 20.484 -13.943 -23.399 1.00 65.52 C ATOM 238 NZ LYS A 18 21.705 -13.152 -23.081 1.00 65.12 N1+ ATOM 0 H LYS A 18 16.040 -12.567 -19.406 1.00 33.23 H new ATOM 0 HA LYS A 18 16.537 -14.276 -21.669 1.00 64.54 H new ATOM 0 HB2 LYS A 18 18.018 -12.677 -19.754 1.00 53.52 H new ATOM 0 HB3 LYS A 18 18.709 -14.286 -19.824 1.00 53.52 H new ATOM 0 HG2 LYS A 18 18.091 -12.966 -22.438 1.00 34.14 H new ATOM 0 HG3 LYS A 18 19.421 -12.304 -21.509 1.00 34.14 H new ATOM 0 HD2 LYS A 18 20.423 -14.599 -21.354 1.00 3.43 H new ATOM 0 HD3 LYS A 18 19.115 -15.218 -22.343 1.00 3.43 H new ATOM 0 HE2 LYS A 18 20.766 -14.842 -23.946 1.00 65.52 H new ATOM 0 HE3 LYS A 18 19.835 -13.362 -24.054 1.00 65.52 H new ATOM 0 HZ1 LYS A 18 22.198 -12.906 -23.963 1.00 65.12 H new ATOM 0 HZ2 LYS A 18 21.434 -12.281 -22.581 1.00 65.12 H new ATOM 0 HZ3 LYS A 18 22.336 -13.716 -22.477 1.00 65.12 H new ATOM 252 N ILE A 19 16.575 -15.537 -18.609 1.00 12.34 N ATOM 253 CA ILE A 19 16.480 -16.781 -17.857 1.00 24.42 C ATOM 254 C ILE A 19 15.328 -17.643 -18.361 1.00 55.30 C ATOM 255 O ILE A 19 14.257 -17.134 -18.693 1.00 23.20 O ATOM 256 CB ILE A 19 16.289 -16.517 -16.352 1.00 22.32 C ATOM 257 CG1 ILE A 19 17.453 -15.688 -15.805 1.00 23.25 C ATOM 258 CG2 ILE A 19 16.165 -17.831 -15.595 1.00 11.22 C ATOM 259 CD1 ILE A 19 17.019 -14.578 -14.873 1.00 34.11 C ATOM 0 H ILE A 19 16.608 -14.697 -18.032 1.00 12.34 H new ATOM 0 HA ILE A 19 17.420 -17.312 -18.008 1.00 24.42 H new ATOM 0 HB ILE A 19 15.368 -15.951 -16.212 1.00 22.32 H new ATOM 0 HG12 ILE A 19 18.141 -16.347 -15.276 1.00 23.25 H new ATOM 0 HG13 ILE A 19 18.004 -15.256 -16.640 1.00 23.25 H new ATOM 0 HG21 ILE A 19 16.031 -17.628 -14.533 1.00 11.22 H new ATOM 0 HG22 ILE A 19 15.306 -18.387 -15.970 1.00 11.22 H new ATOM 0 HG23 ILE A 19 17.070 -18.421 -15.740 1.00 11.22 H new ATOM 0 HD11 ILE A 19 17.896 -14.032 -14.524 1.00 34.11 H new ATOM 0 HD12 ILE A 19 16.355 -13.896 -15.404 1.00 34.11 H new ATOM 0 HD13 ILE A 19 16.493 -15.005 -14.019 1.00 34.11 H new ATOM 271 N ARG A 20 15.554 -18.952 -18.415 1.00 41.44 N ATOM 272 CA ARG A 20 14.535 -19.885 -18.878 1.00 41.30 C ATOM 273 C ARG A 20 13.940 -20.665 -17.710 1.00 61.31 C ATOM 274 O ARG A 20 14.579 -20.828 -16.669 1.00 32.14 O ATOM 275 CB ARG A 20 15.127 -20.854 -19.903 1.00 54.13 C ATOM 276 CG ARG A 20 15.589 -20.177 -21.184 1.00 73.54 C ATOM 277 CD ARG A 20 16.360 -21.140 -22.075 1.00 63.21 C ATOM 278 NE ARG A 20 16.247 -20.788 -23.488 1.00 0.12 N ATOM 279 CZ ARG A 20 16.545 -21.620 -24.479 1.00 65.44 C ATOM 280 NH1 ARG A 20 16.972 -22.847 -24.213 1.00 23.20 N1+ ATOM 281 NH2 ARG A 20 16.416 -21.227 -25.740 1.00 5.22 N ATOM 0 H ARG A 20 16.434 -19.390 -18.144 1.00 41.44 H new ATOM 0 HA ARG A 20 13.740 -19.309 -19.350 1.00 41.30 H new ATOM 0 HB2 ARG A 20 15.972 -21.375 -19.452 1.00 54.13 H new ATOM 0 HB3 ARG A 20 14.381 -21.609 -20.150 1.00 54.13 H new ATOM 0 HG2 ARG A 20 14.725 -19.791 -21.725 1.00 73.54 H new ATOM 0 HG3 ARG A 20 16.219 -19.322 -20.939 1.00 73.54 H new ATOM 0 HD2 ARG A 20 17.411 -21.141 -21.784 1.00 63.21 H new ATOM 0 HD3 ARG A 20 15.987 -22.153 -21.923 1.00 63.21 H new ATOM 0 HE ARG A 20 15.921 -19.851 -23.727 1.00 0.12 H new ATOM 0 HH11 ARG A 20 17.072 -23.154 -23.245 1.00 23.20 H new ATOM 0 HH12 ARG A 20 17.200 -23.484 -24.976 1.00 23.20 H new ATOM 0 HH21 ARG A 20 16.087 -20.284 -25.949 1.00 5.22 H new ATOM 0 HH22 ARG A 20 16.645 -21.868 -26.500 1.00 5.22 H new ATOM 295 N LEU A 21 12.715 -21.144 -17.888 1.00 20.34 N ATOM 296 CA LEU A 21 12.032 -21.907 -16.848 1.00 72.34 C ATOM 297 C LEU A 21 12.690 -23.269 -16.652 1.00 64.32 C ATOM 298 O LEU A 21 12.616 -23.856 -15.572 1.00 62.00 O ATOM 299 CB LEU A 21 10.556 -22.088 -17.205 1.00 51.14 C ATOM 300 CG LEU A 21 9.801 -20.819 -17.599 1.00 14.34 C ATOM 301 CD1 LEU A 21 8.831 -21.106 -18.735 1.00 51.41 C ATOM 302 CD2 LEU A 21 9.063 -20.243 -16.399 1.00 52.41 C ATOM 0 H LEU A 21 12.173 -21.018 -18.743 1.00 20.34 H new ATOM 0 HA LEU A 21 12.107 -21.349 -15.915 1.00 72.34 H new ATOM 0 HB2 LEU A 21 10.486 -22.799 -18.029 1.00 51.14 H new ATOM 0 HB3 LEU A 21 10.049 -22.538 -16.352 1.00 51.14 H new ATOM 0 HG LEU A 21 10.525 -20.081 -17.944 1.00 14.34 H new ATOM 0 HD11 LEU A 21 8.302 -20.191 -19.002 1.00 51.41 H new ATOM 0 HD12 LEU A 21 9.383 -21.472 -19.601 1.00 51.41 H new ATOM 0 HD13 LEU A 21 8.112 -21.861 -18.417 1.00 51.41 H new ATOM 0 HD21 LEU A 21 8.531 -19.340 -16.698 1.00 52.41 H new ATOM 0 HD22 LEU A 21 8.350 -20.977 -16.024 1.00 52.41 H new ATOM 0 HD23 LEU A 21 9.779 -19.999 -15.614 1.00 52.41 H new ATOM 314 N ARG A 22 13.336 -23.765 -17.702 1.00 70.44 N ATOM 315 CA ARG A 22 14.009 -25.058 -17.645 1.00 21.22 C ATOM 316 C ARG A 22 15.249 -25.065 -18.535 1.00 24.44 C ATOM 317 O ARG A 22 15.361 -24.300 -19.492 1.00 11.32 O ATOM 318 CB ARG A 22 13.054 -26.173 -18.075 1.00 24.24 C ATOM 319 CG ARG A 22 12.265 -25.848 -19.332 1.00 1.13 C ATOM 320 CD ARG A 22 10.780 -25.699 -19.035 1.00 60.00 C ATOM 321 NE ARG A 22 9.996 -25.498 -20.251 1.00 44.25 N ATOM 322 CZ ARG A 22 9.720 -26.467 -21.115 1.00 75.24 C ATOM 323 NH1 ARG A 22 10.161 -27.700 -20.898 1.00 55.51 N1+ ATOM 324 NH2 ARG A 22 9.000 -26.207 -22.200 1.00 44.44 N ATOM 0 H ARG A 22 13.408 -23.292 -18.603 1.00 70.44 H new ATOM 0 HA ARG A 22 14.321 -25.232 -16.615 1.00 21.22 H new ATOM 0 HB2 ARG A 22 13.626 -27.086 -18.241 1.00 24.24 H new ATOM 0 HB3 ARG A 22 12.358 -26.377 -17.262 1.00 24.24 H new ATOM 0 HG2 ARG A 22 12.644 -24.925 -19.772 1.00 1.13 H new ATOM 0 HG3 ARG A 22 12.412 -26.637 -20.070 1.00 1.13 H new ATOM 0 HD2 ARG A 22 10.423 -26.589 -18.516 1.00 60.00 H new ATOM 0 HD3 ARG A 22 10.628 -24.855 -18.362 1.00 60.00 H new ATOM 0 HE ARG A 22 9.641 -24.562 -20.447 1.00 44.25 H new ATOM 0 HH11 ARG A 22 10.714 -27.905 -20.065 1.00 55.51 H new ATOM 0 HH12 ARG A 22 9.947 -28.443 -21.564 1.00 55.51 H new ATOM 0 HH21 ARG A 22 8.658 -25.261 -22.371 1.00 44.44 H new ATOM 0 HH22 ARG A 22 8.789 -26.953 -22.863 1.00 44.44 H new ATOM 338 N PRO A 23 16.204 -25.950 -18.210 1.00 44.42 N ATOM 339 CA PRO A 23 17.453 -26.077 -18.967 1.00 73.55 C ATOM 340 C PRO A 23 17.233 -26.675 -20.353 1.00 34.01 C ATOM 341 O PRO A 23 17.920 -26.320 -21.309 1.00 40.45 O ATOM 342 CB PRO A 23 18.294 -27.023 -18.105 1.00 52.42 C ATOM 343 CG PRO A 23 17.300 -27.815 -17.330 1.00 14.23 C ATOM 344 CD PRO A 23 16.138 -26.892 -17.082 1.00 65.42 C ATOM 0 HA PRO A 23 17.922 -25.109 -19.146 1.00 73.55 H new ATOM 0 HB2 PRO A 23 18.920 -27.668 -18.721 1.00 52.42 H new ATOM 0 HB3 PRO A 23 18.960 -26.469 -17.444 1.00 52.42 H new ATOM 0 HG2 PRO A 23 16.985 -28.698 -17.886 1.00 14.23 H new ATOM 0 HG3 PRO A 23 17.727 -28.166 -16.391 1.00 14.23 H new ATOM 0 HD2 PRO A 23 15.192 -27.433 -17.065 1.00 65.42 H new ATOM 0 HD3 PRO A 23 16.229 -26.379 -16.124 1.00 65.42 H new ATOM 352 N GLY A 24 16.268 -27.585 -20.454 1.00 2.21 N ATOM 353 CA GLY A 24 15.975 -28.217 -21.727 1.00 12.24 C ATOM 354 C GLY A 24 14.615 -27.823 -22.270 1.00 2.24 C ATOM 355 O GLY A 24 13.765 -28.677 -22.513 1.00 74.54 O ATOM 0 H GLY A 24 15.684 -27.895 -19.677 1.00 2.21 H new ATOM 0 HA2 GLY A 24 16.744 -27.945 -22.450 1.00 12.24 H new ATOM 0 HA3 GLY A 24 16.016 -29.300 -21.610 1.00 12.24 H new ATOM 359 N GLY A 25 14.408 -26.523 -22.457 1.00 32.41 N ATOM 360 CA GLY A 25 13.139 -26.040 -22.971 1.00 64.40 C ATOM 361 C GLY A 25 13.310 -25.105 -24.151 1.00 52.12 C ATOM 362 O GLY A 25 14.421 -24.913 -24.646 1.00 73.21 O ATOM 0 H GLY A 25 15.096 -25.796 -22.262 1.00 32.41 H new ATOM 0 HA2 GLY A 25 12.525 -26.889 -23.270 1.00 64.40 H new ATOM 0 HA3 GLY A 25 12.602 -25.523 -22.176 1.00 64.40 H new ATOM 366 N LYS A 26 12.206 -24.521 -24.606 1.00 21.40 N ATOM 367 CA LYS A 26 12.237 -23.601 -25.737 1.00 22.33 C ATOM 368 C LYS A 26 11.481 -22.316 -25.412 1.00 53.11 C ATOM 369 O LYS A 26 10.979 -21.637 -26.307 1.00 41.54 O ATOM 370 CB LYS A 26 11.630 -24.263 -26.976 1.00 1.52 C ATOM 371 CG LYS A 26 12.517 -25.333 -27.589 1.00 53.42 C ATOM 372 CD LYS A 26 12.964 -24.951 -28.991 1.00 21.11 C ATOM 373 CE LYS A 26 11.830 -25.094 -29.996 1.00 25.24 C ATOM 374 NZ LYS A 26 11.387 -26.509 -30.134 1.00 51.04 N1+ ATOM 0 H LYS A 26 11.278 -24.669 -24.208 1.00 21.40 H new ATOM 0 HA LYS A 26 13.278 -23.349 -25.941 1.00 22.33 H new ATOM 0 HB2 LYS A 26 10.671 -24.707 -26.708 1.00 1.52 H new ATOM 0 HB3 LYS A 26 11.428 -23.497 -27.725 1.00 1.52 H new ATOM 0 HG2 LYS A 26 13.391 -25.488 -26.957 1.00 53.42 H new ATOM 0 HG3 LYS A 26 11.977 -26.279 -27.623 1.00 53.42 H new ATOM 0 HD2 LYS A 26 13.325 -23.922 -28.992 1.00 21.11 H new ATOM 0 HD3 LYS A 26 13.800 -25.582 -29.292 1.00 21.11 H new ATOM 0 HE2 LYS A 26 10.987 -24.478 -29.682 1.00 25.24 H new ATOM 0 HE3 LYS A 26 12.155 -24.719 -30.966 1.00 25.24 H new ATOM 0 HZ1 LYS A 26 10.863 -26.623 -31.025 1.00 51.04 H new ATOM 0 HZ2 LYS A 26 12.218 -27.134 -30.138 1.00 51.04 H new ATOM 0 HZ3 LYS A 26 10.770 -26.759 -29.335 1.00 51.04 H new ATOM 388 N LYS A 27 11.406 -21.989 -24.127 1.00 10.53 N ATOM 389 CA LYS A 27 10.714 -20.784 -23.684 1.00 12.23 C ATOM 390 C LYS A 27 11.470 -20.110 -22.544 1.00 5.10 C ATOM 391 O LYS A 27 12.054 -20.782 -21.693 1.00 44.11 O ATOM 392 CB LYS A 27 9.291 -21.123 -23.236 1.00 73.02 C ATOM 393 CG LYS A 27 8.385 -21.567 -24.372 1.00 42.03 C ATOM 394 CD LYS A 27 8.042 -23.043 -24.266 1.00 33.11 C ATOM 395 CE LYS A 27 6.708 -23.354 -24.929 1.00 32.10 C ATOM 396 NZ LYS A 27 5.559 -22.863 -24.118 1.00 73.42 N1+ ATOM 0 H LYS A 27 11.816 -22.541 -23.374 1.00 10.53 H new ATOM 0 HA LYS A 27 10.668 -20.092 -24.525 1.00 12.23 H new ATOM 0 HB2 LYS A 27 9.334 -21.913 -22.486 1.00 73.02 H new ATOM 0 HB3 LYS A 27 8.853 -20.249 -22.753 1.00 73.02 H new ATOM 0 HG2 LYS A 27 7.468 -20.978 -24.359 1.00 42.03 H new ATOM 0 HG3 LYS A 27 8.875 -21.374 -25.326 1.00 42.03 H new ATOM 0 HD2 LYS A 27 8.829 -23.635 -24.734 1.00 33.11 H new ATOM 0 HD3 LYS A 27 8.005 -23.335 -23.216 1.00 33.11 H new ATOM 0 HE2 LYS A 27 6.678 -22.895 -25.917 1.00 32.10 H new ATOM 0 HE3 LYS A 27 6.617 -24.430 -25.074 1.00 32.10 H new ATOM 0 HZ1 LYS A 27 4.678 -23.291 -24.469 1.00 73.42 H new ATOM 0 HZ2 LYS A 27 5.700 -23.126 -23.122 1.00 73.42 H new ATOM 0 HZ3 LYS A 27 5.496 -21.828 -24.197 1.00 73.42 H new ATOM 410 N GLN A 28 11.454 -18.781 -22.531 1.00 35.21 N ATOM 411 CA GLN A 28 12.139 -18.019 -21.494 1.00 11.44 C ATOM 412 C GLN A 28 11.151 -17.523 -20.442 1.00 60.12 C ATOM 413 O GLN A 28 9.968 -17.861 -20.479 1.00 22.11 O ATOM 414 CB GLN A 28 12.883 -16.833 -22.110 1.00 10.43 C ATOM 415 CG GLN A 28 13.672 -17.193 -23.359 1.00 15.54 C ATOM 416 CD GLN A 28 14.564 -16.061 -23.831 1.00 74.22 C ATOM 417 OE1 GLN A 28 15.789 -16.160 -23.781 1.00 65.25 O ATOM 418 NE2 GLN A 28 13.951 -14.977 -24.294 1.00 64.44 N ATOM 0 H GLN A 28 10.974 -18.210 -23.227 1.00 35.21 H new ATOM 0 HA GLN A 28 12.859 -18.678 -21.009 1.00 11.44 H new ATOM 0 HB2 GLN A 28 12.164 -16.052 -22.357 1.00 10.43 H new ATOM 0 HB3 GLN A 28 13.564 -16.416 -21.368 1.00 10.43 H new ATOM 0 HG2 GLN A 28 14.283 -18.073 -23.157 1.00 15.54 H new ATOM 0 HG3 GLN A 28 12.980 -17.462 -24.157 1.00 15.54 H new ATOM 0 HE21 GLN A 28 12.932 -14.938 -24.317 1.00 64.44 H new ATOM 0 HE22 GLN A 28 14.499 -14.184 -24.626 1.00 64.44 H new ATOM 427 N TYR A 29 11.646 -16.722 -19.505 1.00 71.03 N ATOM 428 CA TYR A 29 10.808 -16.183 -18.441 1.00 0.51 C ATOM 429 C TYR A 29 10.113 -14.901 -18.891 1.00 62.40 C ATOM 430 O TYR A 29 10.637 -14.153 -19.717 1.00 42.11 O ATOM 431 CB TYR A 29 11.647 -15.909 -17.191 1.00 32.31 C ATOM 432 CG TYR A 29 11.571 -17.011 -16.158 1.00 44.04 C ATOM 433 CD1 TYR A 29 10.464 -17.138 -15.328 1.00 53.54 C ATOM 434 CD2 TYR A 29 12.608 -17.926 -16.011 1.00 11.13 C ATOM 435 CE1 TYR A 29 10.391 -18.142 -14.383 1.00 3.25 C ATOM 436 CE2 TYR A 29 12.541 -18.933 -15.070 1.00 63.44 C ATOM 437 CZ TYR A 29 11.431 -19.038 -14.258 1.00 63.22 C ATOM 438 OH TYR A 29 11.363 -20.040 -13.317 1.00 41.23 O ATOM 0 H TYR A 29 12.623 -16.432 -19.461 1.00 71.03 H new ATOM 0 HA TYR A 29 10.045 -16.925 -18.204 1.00 0.51 H new ATOM 0 HB2 TYR A 29 12.687 -15.769 -17.485 1.00 32.31 H new ATOM 0 HB3 TYR A 29 11.315 -14.975 -16.738 1.00 32.31 H new ATOM 0 HD1 TYR A 29 9.646 -16.439 -15.424 1.00 53.54 H new ATOM 0 HD2 TYR A 29 13.480 -17.847 -16.644 1.00 11.13 H new ATOM 0 HE1 TYR A 29 9.524 -18.225 -13.745 1.00 3.25 H new ATOM 0 HE2 TYR A 29 13.355 -19.636 -14.970 1.00 63.44 H new ATOM 0 HH TYR A 29 12.162 -20.604 -13.382 1.00 41.23 H new ATOM 448 N LYS A 30 8.930 -14.653 -18.341 1.00 32.24 N ATOM 449 CA LYS A 30 8.162 -13.462 -18.682 1.00 0.55 C ATOM 450 C LYS A 30 7.296 -13.018 -17.507 1.00 12.43 C ATOM 451 O LYS A 30 7.161 -13.736 -16.514 1.00 51.35 O ATOM 452 CB LYS A 30 7.282 -13.729 -19.905 1.00 70.43 C ATOM 453 CG LYS A 30 7.539 -12.777 -21.060 1.00 23.12 C ATOM 454 CD LYS A 30 6.842 -13.238 -22.328 1.00 55.13 C ATOM 455 CE LYS A 30 6.262 -12.065 -23.104 1.00 31.30 C ATOM 456 NZ LYS A 30 5.158 -11.399 -22.358 1.00 60.33 N1+ ATOM 0 H LYS A 30 8.482 -15.262 -17.656 1.00 32.24 H new ATOM 0 HA LYS A 30 8.865 -12.662 -18.916 1.00 0.55 H new ATOM 0 HB2 LYS A 30 7.447 -14.751 -20.245 1.00 70.43 H new ATOM 0 HB3 LYS A 30 6.235 -13.656 -19.611 1.00 70.43 H new ATOM 0 HG2 LYS A 30 7.190 -11.779 -20.794 1.00 23.12 H new ATOM 0 HG3 LYS A 30 8.612 -12.703 -21.240 1.00 23.12 H new ATOM 0 HD2 LYS A 30 7.549 -13.778 -22.958 1.00 55.13 H new ATOM 0 HD3 LYS A 30 6.045 -13.936 -22.073 1.00 55.13 H new ATOM 0 HE2 LYS A 30 7.050 -11.341 -23.310 1.00 31.30 H new ATOM 0 HE3 LYS A 30 5.890 -12.415 -24.067 1.00 31.30 H new ATOM 0 HZ1 LYS A 30 4.516 -10.933 -23.031 1.00 60.33 H new ATOM 0 HZ2 LYS A 30 4.631 -12.109 -21.811 1.00 60.33 H new ATOM 0 HZ3 LYS A 30 5.556 -10.689 -21.711 1.00 60.33 H new ATOM 470 N LEU A 31 6.708 -11.831 -17.625 1.00 72.44 N ATOM 471 CA LEU A 31 5.853 -11.293 -16.574 1.00 64.03 C ATOM 472 C LEU A 31 4.758 -12.287 -16.199 1.00 43.34 C ATOM 473 O LEU A 31 4.282 -12.303 -15.064 1.00 60.52 O ATOM 474 CB LEU A 31 5.226 -9.972 -17.025 1.00 33.30 C ATOM 475 CG LEU A 31 5.363 -8.799 -16.056 1.00 1.12 C ATOM 476 CD1 LEU A 31 6.657 -8.043 -16.312 1.00 3.11 C ATOM 477 CD2 LEU A 31 4.165 -7.866 -16.176 1.00 60.53 C ATOM 0 H LEU A 31 6.809 -11.224 -18.438 1.00 72.44 H new ATOM 0 HA LEU A 31 6.471 -11.113 -15.694 1.00 64.03 H new ATOM 0 HB2 LEU A 31 5.675 -9.686 -17.976 1.00 33.30 H new ATOM 0 HB3 LEU A 31 4.165 -10.141 -17.211 1.00 33.30 H new ATOM 0 HG LEU A 31 5.392 -9.193 -15.040 1.00 1.12 H new ATOM 0 HD11 LEU A 31 6.737 -7.211 -15.612 1.00 3.11 H new ATOM 0 HD12 LEU A 31 7.504 -8.715 -16.175 1.00 3.11 H new ATOM 0 HD13 LEU A 31 6.659 -7.660 -17.333 1.00 3.11 H new ATOM 0 HD21 LEU A 31 4.279 -7.036 -15.479 1.00 60.53 H new ATOM 0 HD22 LEU A 31 4.105 -7.480 -17.193 1.00 60.53 H new ATOM 0 HD23 LEU A 31 3.252 -8.414 -15.942 1.00 60.53 H new ATOM 489 N LYS A 32 4.366 -13.117 -17.159 1.00 11.45 N ATOM 490 CA LYS A 32 3.330 -14.117 -16.930 1.00 40.45 C ATOM 491 C LYS A 32 3.647 -14.956 -15.696 1.00 13.44 C ATOM 492 O LYS A 32 2.744 -15.382 -14.975 1.00 51.04 O ATOM 493 CB LYS A 32 3.190 -15.025 -18.155 1.00 64.10 C ATOM 494 CG LYS A 32 1.763 -15.149 -18.660 1.00 1.50 C ATOM 495 CD LYS A 32 1.717 -15.272 -20.174 1.00 72.22 C ATOM 496 CE LYS A 32 0.323 -14.991 -20.713 1.00 22.13 C ATOM 497 NZ LYS A 32 -0.165 -16.090 -21.591 1.00 72.05 N1+ ATOM 0 H LYS A 32 4.750 -13.117 -18.104 1.00 11.45 H new ATOM 0 HA LYS A 32 2.388 -13.596 -16.761 1.00 40.45 H new ATOM 0 HB2 LYS A 32 3.818 -14.638 -18.957 1.00 64.10 H new ATOM 0 HB3 LYS A 32 3.566 -16.017 -17.906 1.00 64.10 H new ATOM 0 HG2 LYS A 32 1.291 -16.021 -18.208 1.00 1.50 H new ATOM 0 HG3 LYS A 32 1.188 -14.277 -18.347 1.00 1.50 H new ATOM 0 HD2 LYS A 32 2.428 -14.575 -20.619 1.00 72.22 H new ATOM 0 HD3 LYS A 32 2.027 -16.275 -20.468 1.00 72.22 H new ATOM 0 HE2 LYS A 32 -0.368 -14.857 -19.881 1.00 22.13 H new ATOM 0 HE3 LYS A 32 0.332 -14.056 -21.273 1.00 22.13 H new ATOM 0 HZ1 LYS A 32 -1.118 -15.860 -21.938 1.00 72.05 H new ATOM 0 HZ2 LYS A 32 0.480 -16.201 -22.399 1.00 72.05 H new ATOM 0 HZ3 LYS A 32 -0.198 -16.978 -21.050 1.00 72.05 H new ATOM 511 N HIS A 33 4.934 -15.187 -15.457 1.00 51.32 N ATOM 512 CA HIS A 33 5.370 -15.973 -14.308 1.00 2.44 C ATOM 513 C HIS A 33 5.405 -15.114 -13.046 1.00 71.30 C ATOM 514 O HIS A 33 5.145 -15.669 -11.978 1.00 51.24 O ATOM 515 CB HIS A 33 6.752 -16.572 -14.568 1.00 23.51 C ATOM 516 CG HIS A 33 6.852 -17.302 -15.873 1.00 31.12 C ATOM 517 ND1 HIS A 33 7.681 -16.901 -16.898 1.00 51.21 N ATOM 518 CD2 HIS A 33 6.220 -18.415 -16.316 1.00 64.11 C ATOM 519 CE1 HIS A 33 7.555 -17.734 -17.915 1.00 31.40 C ATOM 520 NE2 HIS A 33 6.675 -18.663 -17.586 1.00 10.32 N ATOM 0 H HIS A 33 5.693 -14.841 -16.044 1.00 51.32 H new ATOM 0 HA HIS A 33 4.654 -16.781 -14.158 1.00 2.44 H new ATOM 0 HB2 HIS A 33 7.494 -15.774 -14.549 1.00 23.51 H new ATOM 0 HB3 HIS A 33 7.000 -17.257 -13.758 1.00 23.51 H new ATOM 0 HD2 HIS A 33 5.493 -18.999 -15.771 1.00 64.11 H new ATOM 0 HE1 HIS A 33 8.082 -17.667 -18.856 1.00 31.40 H new ATOM 0 HE2 HIS A 33 6.382 -19.439 -18.180 1.00 10.32 H new ATOM 528 N ILE A 34 5.707 -13.824 -13.137 1.00 21.21 N ATOM 529 CA ILE A 34 5.752 -12.965 -11.960 1.00 21.10 C ATOM 530 C ILE A 34 4.353 -12.718 -11.406 1.00 15.03 C ATOM 531 O ILE A 34 4.155 -12.652 -10.193 1.00 44.30 O ATOM 532 CB ILE A 34 6.414 -11.611 -12.275 1.00 15.13 C ATOM 533 CG1 ILE A 34 7.784 -11.826 -12.920 1.00 23.23 C ATOM 534 CG2 ILE A 34 6.542 -10.777 -11.009 1.00 41.23 C ATOM 535 CD1 ILE A 34 8.482 -10.539 -13.302 1.00 34.23 C ATOM 0 H ILE A 34 5.924 -13.350 -14.014 1.00 21.21 H new ATOM 0 HA ILE A 34 6.350 -13.486 -11.212 1.00 21.10 H new ATOM 0 HB ILE A 34 5.783 -11.070 -12.980 1.00 15.13 H new ATOM 0 HG12 ILE A 34 8.418 -12.382 -12.230 1.00 23.23 H new ATOM 0 HG13 ILE A 34 7.664 -12.443 -13.811 1.00 23.23 H new ATOM 0 HG21 ILE A 34 7.012 -9.823 -11.248 1.00 41.23 H new ATOM 0 HG22 ILE A 34 5.552 -10.599 -10.589 1.00 41.23 H new ATOM 0 HG23 ILE A 34 7.154 -11.311 -10.282 1.00 41.23 H new ATOM 0 HD11 ILE A 34 9.447 -10.769 -13.753 1.00 34.23 H new ATOM 0 HD12 ILE A 34 7.868 -9.991 -14.017 1.00 34.23 H new ATOM 0 HD13 ILE A 34 8.634 -9.929 -12.411 1.00 34.23 H new ATOM 547 N VAL A 35 3.381 -12.584 -12.305 1.00 64.23 N ATOM 548 CA VAL A 35 1.999 -12.347 -11.907 1.00 60.43 C ATOM 549 C VAL A 35 1.402 -13.579 -11.237 1.00 55.31 C ATOM 550 O VAL A 35 0.631 -13.467 -10.283 1.00 72.41 O ATOM 551 CB VAL A 35 1.127 -11.959 -13.115 1.00 34.33 C ATOM 552 CG1 VAL A 35 -0.317 -11.748 -12.686 1.00 30.35 C ATOM 553 CG2 VAL A 35 1.678 -10.714 -13.793 1.00 25.05 C ATOM 0 H VAL A 35 3.526 -12.636 -13.313 1.00 64.23 H new ATOM 0 HA VAL A 35 2.010 -11.521 -11.196 1.00 60.43 H new ATOM 0 HB VAL A 35 1.151 -12.777 -13.835 1.00 34.33 H new ATOM 0 HG11 VAL A 35 -0.918 -11.474 -13.553 1.00 30.35 H new ATOM 0 HG12 VAL A 35 -0.706 -12.669 -12.251 1.00 30.35 H new ATOM 0 HG13 VAL A 35 -0.364 -10.949 -11.946 1.00 30.35 H new ATOM 0 HG21 VAL A 35 1.049 -10.455 -14.645 1.00 25.05 H new ATOM 0 HG22 VAL A 35 1.687 -9.887 -13.083 1.00 25.05 H new ATOM 0 HG23 VAL A 35 2.694 -10.907 -14.138 1.00 25.05 H new ATOM 563 N TRP A 36 1.761 -14.754 -11.742 1.00 64.23 N ATOM 564 CA TRP A 36 1.261 -16.008 -11.191 1.00 52.13 C ATOM 565 C TRP A 36 1.762 -16.216 -9.767 1.00 2.11 C ATOM 566 O TRP A 36 0.995 -16.580 -8.876 1.00 44.42 O ATOM 567 CB TRP A 36 1.690 -17.183 -12.072 1.00 54.34 C ATOM 568 CG TRP A 36 1.161 -18.503 -11.600 1.00 23.21 C ATOM 569 CD1 TRP A 36 -0.128 -18.947 -11.684 1.00 64.52 C ATOM 570 CD2 TRP A 36 1.908 -19.550 -10.969 1.00 52.51 C ATOM 571 NE1 TRP A 36 -0.227 -20.207 -11.143 1.00 11.35 N ATOM 572 CE2 TRP A 36 1.008 -20.599 -10.699 1.00 3.13 C ATOM 573 CE3 TRP A 36 3.250 -19.702 -10.608 1.00 35.53 C ATOM 574 CZ2 TRP A 36 1.408 -21.782 -10.084 1.00 24.35 C ATOM 575 CZ3 TRP A 36 3.644 -20.877 -9.997 1.00 54.44 C ATOM 576 CH2 TRP A 36 2.727 -21.905 -9.741 1.00 64.11 C ATOM 0 H TRP A 36 2.397 -14.864 -12.532 1.00 64.23 H new ATOM 0 HA TRP A 36 0.172 -15.957 -11.169 1.00 52.13 H new ATOM 0 HB2 TRP A 36 1.349 -17.007 -13.092 1.00 54.34 H new ATOM 0 HB3 TRP A 36 2.779 -17.226 -12.103 1.00 54.34 H new ATOM 0 HD1 TRP A 36 -0.948 -18.390 -12.112 1.00 64.52 H new ATOM 0 HE1 TRP A 36 -1.082 -20.760 -11.082 1.00 11.35 H new ATOM 0 HE3 TRP A 36 3.965 -18.916 -10.803 1.00 35.53 H new ATOM 0 HZ2 TRP A 36 0.702 -22.575 -9.885 1.00 24.35 H new ATOM 0 HZ3 TRP A 36 4.678 -21.005 -9.712 1.00 54.44 H new ATOM 0 HH2 TRP A 36 3.068 -22.812 -9.264 1.00 64.11 H new ATOM 587 N ALA A 37 3.054 -15.982 -9.558 1.00 1.52 N ATOM 588 CA ALA A 37 3.656 -16.141 -8.240 1.00 73.33 C ATOM 589 C ALA A 37 2.944 -15.280 -7.203 1.00 42.23 C ATOM 590 O ALA A 37 2.801 -15.676 -6.047 1.00 4.13 O ATOM 591 CB ALA A 37 5.137 -15.794 -8.291 1.00 54.31 C ATOM 0 H ALA A 37 3.704 -15.682 -10.285 1.00 1.52 H new ATOM 0 HA ALA A 37 3.548 -17.184 -7.942 1.00 73.33 H new ATOM 0 HB1 ALA A 37 5.574 -15.917 -7.300 1.00 54.31 H new ATOM 0 HB2 ALA A 37 5.642 -16.456 -8.995 1.00 54.31 H new ATOM 0 HB3 ALA A 37 5.258 -14.760 -8.615 1.00 54.31 H new ATOM 597 N SER A 38 2.499 -14.100 -7.625 1.00 71.32 N ATOM 598 CA SER A 38 1.805 -13.181 -6.731 1.00 72.51 C ATOM 599 C SER A 38 0.497 -13.790 -6.234 1.00 61.43 C ATOM 600 O SER A 38 0.156 -13.677 -5.057 1.00 21.53 O ATOM 601 CB SER A 38 1.526 -11.856 -7.443 1.00 31.20 C ATOM 602 OG SER A 38 2.649 -10.995 -7.377 1.00 13.12 O ATOM 0 H SER A 38 2.607 -13.759 -8.580 1.00 71.32 H new ATOM 0 HA SER A 38 2.448 -12.994 -5.871 1.00 72.51 H new ATOM 0 HB2 SER A 38 1.271 -12.047 -8.485 1.00 31.20 H new ATOM 0 HB3 SER A 38 0.664 -11.369 -6.987 1.00 31.20 H new ATOM 0 HG SER A 38 2.446 -10.156 -7.841 1.00 13.12 H new ATOM 608 N ARG A 39 -0.230 -14.436 -7.140 1.00 3.25 N ATOM 609 CA ARG A 39 -1.501 -15.061 -6.795 1.00 42.52 C ATOM 610 C ARG A 39 -1.276 -16.372 -6.048 1.00 40.31 C ATOM 611 O ARG A 39 -2.127 -16.811 -5.275 1.00 1.13 O ATOM 612 CB ARG A 39 -2.327 -15.316 -8.057 1.00 20.42 C ATOM 613 CG ARG A 39 -3.548 -14.420 -8.176 1.00 33.14 C ATOM 614 CD ARG A 39 -4.710 -15.147 -8.837 1.00 4.24 C ATOM 615 NE ARG A 39 -5.364 -16.079 -7.922 1.00 13.42 N ATOM 616 CZ ARG A 39 -6.131 -15.696 -6.908 1.00 65.41 C ATOM 617 NH1 ARG A 39 -6.338 -14.407 -6.678 1.00 1.21 N1+ ATOM 618 NH2 ARG A 39 -6.692 -16.604 -6.119 1.00 62.22 N ATOM 0 H ARG A 39 0.040 -14.540 -8.118 1.00 3.25 H new ATOM 0 HA ARG A 39 -2.048 -14.380 -6.143 1.00 42.52 H new ATOM 0 HB2 ARG A 39 -1.693 -15.170 -8.932 1.00 20.42 H new ATOM 0 HB3 ARG A 39 -2.649 -16.357 -8.066 1.00 20.42 H new ATOM 0 HG2 ARG A 39 -3.848 -14.078 -7.185 1.00 33.14 H new ATOM 0 HG3 ARG A 39 -3.295 -13.533 -8.757 1.00 33.14 H new ATOM 0 HD2 ARG A 39 -5.438 -14.418 -9.194 1.00 4.24 H new ATOM 0 HD3 ARG A 39 -4.348 -15.690 -9.710 1.00 4.24 H new ATOM 0 HE ARG A 39 -5.224 -17.078 -8.070 1.00 13.42 H new ATOM 0 HH11 ARG A 39 -5.908 -13.706 -7.281 1.00 1.21 H new ATOM 0 HH12 ARG A 39 -6.928 -14.116 -5.898 1.00 1.21 H new ATOM 0 HH21 ARG A 39 -6.534 -17.597 -6.291 1.00 62.22 H new ATOM 0 HH22 ARG A 39 -7.281 -16.309 -5.340 1.00 62.22 H new ATOM 632 N GLU A 40 -0.124 -16.993 -6.284 1.00 54.31 N ATOM 633 CA GLU A 40 0.211 -18.254 -5.634 1.00 52.44 C ATOM 634 C GLU A 40 0.822 -18.011 -4.258 1.00 44.13 C ATOM 635 O GLU A 40 0.870 -18.912 -3.420 1.00 2.25 O ATOM 636 CB GLU A 40 1.182 -19.058 -6.502 1.00 22.11 C ATOM 637 CG GLU A 40 0.628 -20.399 -6.954 1.00 24.11 C ATOM 638 CD GLU A 40 -0.734 -20.276 -7.609 1.00 62.24 C ATOM 639 OE1 GLU A 40 -0.904 -19.379 -8.461 1.00 20.50 O1- ATOM 640 OE2 GLU A 40 -1.629 -21.079 -7.270 1.00 23.11 O ATOM 0 H GLU A 40 0.592 -16.643 -6.920 1.00 54.31 H new ATOM 0 HA GLU A 40 -0.709 -18.824 -5.507 1.00 52.44 H new ATOM 0 HB2 GLU A 40 1.444 -18.468 -7.380 1.00 22.11 H new ATOM 0 HB3 GLU A 40 2.103 -19.225 -5.943 1.00 22.11 H new ATOM 0 HG2 GLU A 40 1.324 -20.858 -7.656 1.00 24.11 H new ATOM 0 HG3 GLU A 40 0.555 -21.066 -6.095 1.00 24.11 H new ATOM 647 N LEU A 41 1.291 -16.789 -4.033 1.00 11.11 N ATOM 648 CA LEU A 41 1.901 -16.426 -2.758 1.00 54.24 C ATOM 649 C LEU A 41 0.852 -15.904 -1.781 1.00 71.30 C ATOM 650 O LEU A 41 0.772 -16.361 -0.641 1.00 55.35 O ATOM 651 CB LEU A 41 2.985 -15.368 -2.972 1.00 42.32 C ATOM 652 CG LEU A 41 4.422 -15.885 -3.047 1.00 41.33 C ATOM 653 CD1 LEU A 41 5.390 -14.740 -3.305 1.00 31.15 C ATOM 654 CD2 LEU A 41 4.792 -16.621 -1.767 1.00 41.42 C ATOM 0 H LEU A 41 1.261 -16.032 -4.716 1.00 11.11 H new ATOM 0 HA LEU A 41 2.354 -17.321 -2.332 1.00 54.24 H new ATOM 0 HB2 LEU A 41 2.764 -14.832 -3.895 1.00 42.32 H new ATOM 0 HB3 LEU A 41 2.923 -14.643 -2.160 1.00 42.32 H new ATOM 0 HG LEU A 41 4.492 -16.586 -3.879 1.00 41.33 H new ATOM 0 HD11 LEU A 41 6.407 -15.128 -3.355 1.00 31.15 H new ATOM 0 HD12 LEU A 41 5.139 -14.257 -4.249 1.00 31.15 H new ATOM 0 HD13 LEU A 41 5.318 -14.013 -2.496 1.00 31.15 H new ATOM 0 HD21 LEU A 41 5.818 -16.982 -1.838 1.00 41.42 H new ATOM 0 HD22 LEU A 41 4.704 -15.942 -0.919 1.00 41.42 H new ATOM 0 HD23 LEU A 41 4.119 -17.467 -1.626 1.00 41.42 H new ATOM 666 N GLU A 42 0.050 -14.948 -2.238 1.00 34.24 N ATOM 667 CA GLU A 42 -0.996 -14.367 -1.404 1.00 22.22 C ATOM 668 C GLU A 42 -1.967 -15.441 -0.920 1.00 1.33 C ATOM 669 O GLU A 42 -2.607 -15.291 0.121 1.00 52.12 O ATOM 670 CB GLU A 42 -1.756 -13.288 -2.177 1.00 52.32 C ATOM 671 CG GLU A 42 -2.438 -12.265 -1.285 1.00 4.22 C ATOM 672 CD GLU A 42 -3.811 -12.716 -0.823 1.00 62.44 C ATOM 673 OE1 GLU A 42 -4.276 -13.775 -1.294 1.00 15.22 O1- ATOM 674 OE2 GLU A 42 -4.418 -12.012 0.009 1.00 2.14 O ATOM 0 H GLU A 42 0.104 -14.560 -3.180 1.00 34.24 H new ATOM 0 HA GLU A 42 -0.520 -13.914 -0.534 1.00 22.22 H new ATOM 0 HB2 GLU A 42 -1.062 -12.773 -2.842 1.00 52.32 H new ATOM 0 HB3 GLU A 42 -2.506 -13.765 -2.807 1.00 52.32 H new ATOM 0 HG2 GLU A 42 -1.811 -12.072 -0.414 1.00 4.22 H new ATOM 0 HG3 GLU A 42 -2.532 -11.323 -1.825 1.00 4.22 H new ATOM 681 N ARG A 43 -2.071 -16.523 -1.685 1.00 24.11 N ATOM 682 CA ARG A 43 -2.965 -17.621 -1.337 1.00 65.32 C ATOM 683 C ARG A 43 -2.460 -18.363 -0.102 1.00 55.44 C ATOM 684 O ARG A 43 -3.232 -19.011 0.604 1.00 4.23 O ATOM 685 CB ARG A 43 -3.095 -18.593 -2.511 1.00 11.22 C ATOM 686 CG ARG A 43 -1.878 -19.484 -2.702 1.00 33.34 C ATOM 687 CD ARG A 43 -2.137 -20.894 -2.194 1.00 43.25 C ATOM 688 NE ARG A 43 -3.272 -21.519 -2.866 1.00 54.03 N ATOM 689 CZ ARG A 43 -3.782 -22.693 -2.511 1.00 22.03 C ATOM 690 NH1 ARG A 43 -3.260 -23.365 -1.493 1.00 53.21 N1+ ATOM 691 NH2 ARG A 43 -4.817 -23.196 -3.171 1.00 55.35 N ATOM 0 H ARG A 43 -1.548 -16.663 -2.549 1.00 24.11 H new ATOM 0 HA ARG A 43 -3.945 -17.201 -1.112 1.00 65.32 H new ATOM 0 HB2 ARG A 43 -3.973 -19.220 -2.357 1.00 11.22 H new ATOM 0 HB3 ARG A 43 -3.266 -18.024 -3.425 1.00 11.22 H new ATOM 0 HG2 ARG A 43 -1.613 -19.519 -3.759 1.00 33.34 H new ATOM 0 HG3 ARG A 43 -1.026 -19.056 -2.174 1.00 33.34 H new ATOM 0 HD2 ARG A 43 -1.246 -21.503 -2.346 1.00 43.25 H new ATOM 0 HD3 ARG A 43 -2.323 -20.864 -1.120 1.00 43.25 H new ATOM 0 HE ARG A 43 -3.697 -21.027 -3.652 1.00 54.03 H new ATOM 0 HH11 ARG A 43 -2.466 -22.980 -0.982 1.00 53.21 H new ATOM 0 HH12 ARG A 43 -3.653 -24.266 -1.222 1.00 53.21 H new ATOM 0 HH21 ARG A 43 -5.223 -22.681 -3.953 1.00 55.35 H new ATOM 0 HH22 ARG A 43 -5.207 -24.098 -2.897 1.00 55.35 H new ATOM 705 N PHE A 44 -1.159 -18.263 0.149 1.00 24.42 N ATOM 706 CA PHE A 44 -0.549 -18.925 1.297 1.00 33.34 C ATOM 707 C PHE A 44 -0.305 -17.934 2.431 1.00 43.23 C ATOM 708 O PHE A 44 0.613 -18.105 3.232 1.00 73.34 O ATOM 709 CB PHE A 44 0.768 -19.588 0.890 1.00 3.12 C ATOM 710 CG PHE A 44 0.591 -20.950 0.282 1.00 43.13 C ATOM 711 CD1 PHE A 44 -0.128 -21.931 0.945 1.00 74.13 C ATOM 712 CD2 PHE A 44 1.145 -21.249 -0.953 1.00 5.12 C ATOM 713 CE1 PHE A 44 -0.293 -23.186 0.387 1.00 0.42 C ATOM 714 CE2 PHE A 44 0.984 -22.501 -1.515 1.00 31.04 C ATOM 715 CZ PHE A 44 0.265 -23.470 -0.844 1.00 33.44 C ATOM 0 H PHE A 44 -0.507 -17.730 -0.427 1.00 24.42 H new ATOM 0 HA PHE A 44 -1.239 -19.691 1.651 1.00 33.34 H new ATOM 0 HB2 PHE A 44 1.284 -18.945 0.177 1.00 3.12 H new ATOM 0 HB3 PHE A 44 1.410 -19.671 1.767 1.00 3.12 H new ATOM 0 HD1 PHE A 44 -0.565 -21.714 1.909 1.00 74.13 H new ATOM 0 HD2 PHE A 44 1.709 -20.495 -1.482 1.00 5.12 H new ATOM 0 HE1 PHE A 44 -0.857 -23.942 0.913 1.00 0.42 H new ATOM 0 HE2 PHE A 44 1.420 -22.721 -2.478 1.00 31.04 H new ATOM 0 HZ PHE A 44 0.139 -24.449 -1.281 1.00 33.44 H new ATOM 725 N ALA A 45 -1.133 -16.896 2.490 1.00 63.42 N ATOM 726 CA ALA A 45 -1.008 -15.878 3.525 1.00 20.45 C ATOM 727 C ALA A 45 0.315 -15.130 3.403 1.00 22.10 C ATOM 728 O ALA A 45 0.786 -14.519 4.363 1.00 54.31 O ATOM 729 CB ALA A 45 -1.134 -16.509 4.905 1.00 13.23 C ATOM 0 H ALA A 45 -1.897 -16.738 1.833 1.00 63.42 H new ATOM 0 HA ALA A 45 -1.816 -15.159 3.391 1.00 20.45 H new ATOM 0 HB1 ALA A 45 -1.039 -15.737 5.668 1.00 13.23 H new ATOM 0 HB2 ALA A 45 -2.107 -16.992 4.997 1.00 13.23 H new ATOM 0 HB3 ALA A 45 -0.347 -17.251 5.039 1.00 13.23 H new ATOM 735 N VAL A 46 0.911 -15.182 2.216 1.00 64.33 N ATOM 736 CA VAL A 46 2.181 -14.509 1.969 1.00 11.32 C ATOM 737 C VAL A 46 2.032 -13.434 0.898 1.00 43.24 C ATOM 738 O VAL A 46 1.752 -13.733 -0.262 1.00 61.05 O ATOM 739 CB VAL A 46 3.269 -15.507 1.531 1.00 63.41 C ATOM 740 CG1 VAL A 46 4.572 -14.781 1.232 1.00 12.51 C ATOM 741 CG2 VAL A 46 3.476 -16.571 2.599 1.00 71.12 C ATOM 0 H VAL A 46 0.535 -15.683 1.411 1.00 64.33 H new ATOM 0 HA VAL A 46 2.482 -14.044 2.908 1.00 11.32 H new ATOM 0 HB VAL A 46 2.938 -16.000 0.617 1.00 63.41 H new ATOM 0 HG11 VAL A 46 5.328 -15.503 0.924 1.00 12.51 H new ATOM 0 HG12 VAL A 46 4.411 -14.060 0.431 1.00 12.51 H new ATOM 0 HG13 VAL A 46 4.911 -14.259 2.127 1.00 12.51 H new ATOM 0 HG21 VAL A 46 4.248 -17.268 2.273 1.00 71.12 H new ATOM 0 HG22 VAL A 46 3.785 -16.096 3.530 1.00 71.12 H new ATOM 0 HG23 VAL A 46 2.543 -17.112 2.759 1.00 71.12 H new ATOM 751 N ASN A 47 2.225 -12.181 1.295 1.00 1.52 N ATOM 752 CA ASN A 47 2.112 -11.059 0.369 1.00 21.31 C ATOM 753 C ASN A 47 3.143 -11.173 -0.750 1.00 31.43 C ATOM 754 O ASN A 47 4.271 -11.623 -0.546 1.00 3.11 O ATOM 755 CB ASN A 47 2.296 -9.736 1.114 1.00 12.51 C ATOM 756 CG ASN A 47 1.012 -9.254 1.763 1.00 74.31 C ATOM 757 OD1 ASN A 47 0.013 -9.973 1.796 1.00 32.30 O ATOM 758 ND2 ASN A 47 1.033 -8.032 2.282 1.00 54.45 N ATOM 0 H ASN A 47 2.460 -11.916 2.251 1.00 1.52 H new ATOM 0 HA ASN A 47 1.116 -11.083 -0.074 1.00 21.31 H new ATOM 0 HB2 ASN A 47 3.063 -9.856 1.879 1.00 12.51 H new ATOM 0 HB3 ASN A 47 2.655 -8.977 0.419 1.00 12.51 H new ATOM 0 HD21 ASN A 47 0.199 -7.654 2.731 1.00 54.45 H new ATOM 0 HD22 ASN A 47 1.883 -7.471 2.232 1.00 54.45 H new ATOM 765 N PRO A 48 2.749 -10.755 -1.962 1.00 40.23 N ATOM 766 CA PRO A 48 3.623 -10.799 -3.138 1.00 63.12 C ATOM 767 C PRO A 48 4.761 -9.787 -3.052 1.00 65.12 C ATOM 768 O PRO A 48 5.676 -9.795 -3.874 1.00 12.11 O ATOM 769 CB PRO A 48 2.682 -10.448 -4.293 1.00 64.55 C ATOM 770 CG PRO A 48 1.592 -9.652 -3.664 1.00 71.11 C ATOM 771 CD PRO A 48 1.419 -10.207 -2.278 1.00 35.51 C ATOM 0 HA PRO A 48 4.111 -11.768 -3.247 1.00 63.12 H new ATOM 0 HB2 PRO A 48 3.197 -9.874 -5.063 1.00 64.55 H new ATOM 0 HB3 PRO A 48 2.291 -11.346 -4.772 1.00 64.55 H new ATOM 0 HG2 PRO A 48 1.851 -8.594 -3.631 1.00 71.11 H new ATOM 0 HG3 PRO A 48 0.668 -9.736 -4.236 1.00 71.11 H new ATOM 0 HD2 PRO A 48 1.124 -9.433 -1.569 1.00 35.51 H new ATOM 0 HD3 PRO A 48 0.649 -10.978 -2.247 1.00 35.51 H new ATOM 779 N GLY A 49 4.699 -8.917 -2.048 1.00 31.20 N ATOM 780 CA GLY A 49 5.730 -7.912 -1.872 1.00 71.15 C ATOM 781 C GLY A 49 7.068 -8.514 -1.490 1.00 62.32 C ATOM 782 O GLY A 49 8.105 -7.854 -1.583 1.00 30.45 O ATOM 0 H GLY A 49 3.952 -8.891 -1.353 1.00 31.20 H new ATOM 0 HA2 GLY A 49 5.841 -7.344 -2.796 1.00 71.15 H new ATOM 0 HA3 GLY A 49 5.419 -7.208 -1.101 1.00 71.15 H new ATOM 786 N LEU A 50 7.047 -9.769 -1.056 1.00 30.11 N ATOM 787 CA LEU A 50 8.267 -10.461 -0.656 1.00 62.53 C ATOM 788 C LEU A 50 9.093 -10.858 -1.875 1.00 41.15 C ATOM 789 O LEU A 50 10.309 -11.038 -1.783 1.00 21.13 O ATOM 790 CB LEU A 50 7.926 -11.702 0.170 1.00 71.33 C ATOM 791 CG LEU A 50 7.036 -11.473 1.391 1.00 45.11 C ATOM 792 CD1 LEU A 50 6.865 -12.763 2.178 1.00 44.34 C ATOM 793 CD2 LEU A 50 7.617 -10.379 2.276 1.00 64.52 C ATOM 0 H LEU A 50 6.198 -10.328 -0.972 1.00 30.11 H new ATOM 0 HA LEU A 50 8.859 -9.778 -0.046 1.00 62.53 H new ATOM 0 HB2 LEU A 50 7.435 -12.424 -0.482 1.00 71.33 H new ATOM 0 HB3 LEU A 50 8.858 -12.158 0.505 1.00 71.33 H new ATOM 0 HG LEU A 50 6.054 -11.151 1.045 1.00 45.11 H new ATOM 0 HD11 LEU A 50 6.228 -12.580 3.043 1.00 44.34 H new ATOM 0 HD12 LEU A 50 6.404 -13.519 1.542 1.00 44.34 H new ATOM 0 HD13 LEU A 50 7.840 -13.117 2.513 1.00 44.34 H new ATOM 0 HD21 LEU A 50 6.971 -10.229 3.141 1.00 64.52 H new ATOM 0 HD22 LEU A 50 8.611 -10.673 2.613 1.00 64.52 H new ATOM 0 HD23 LEU A 50 7.686 -9.451 1.709 1.00 64.52 H new ATOM 805 N LEU A 51 8.428 -10.991 -3.017 1.00 32.44 N ATOM 806 CA LEU A 51 9.101 -11.365 -4.256 1.00 34.14 C ATOM 807 C LEU A 51 10.115 -10.302 -4.667 1.00 25.54 C ATOM 808 O LEU A 51 11.083 -10.593 -5.367 1.00 72.45 O ATOM 809 CB LEU A 51 8.076 -11.567 -5.374 1.00 64.23 C ATOM 810 CG LEU A 51 7.083 -12.713 -5.175 1.00 73.04 C ATOM 811 CD1 LEU A 51 5.936 -12.604 -6.168 1.00 43.51 C ATOM 812 CD2 LEU A 51 7.785 -14.057 -5.313 1.00 15.12 C ATOM 0 H LEU A 51 7.423 -10.845 -3.111 1.00 32.44 H new ATOM 0 HA LEU A 51 9.633 -12.301 -4.084 1.00 34.14 H new ATOM 0 HB2 LEU A 51 7.513 -10.642 -5.495 1.00 64.23 H new ATOM 0 HB3 LEU A 51 8.614 -11.737 -6.307 1.00 64.23 H new ATOM 0 HG LEU A 51 6.672 -12.642 -4.168 1.00 73.04 H new ATOM 0 HD11 LEU A 51 5.240 -13.428 -6.011 1.00 43.51 H new ATOM 0 HD12 LEU A 51 5.417 -11.657 -6.021 1.00 43.51 H new ATOM 0 HD13 LEU A 51 6.329 -12.649 -7.184 1.00 43.51 H new ATOM 0 HD21 LEU A 51 7.063 -14.861 -5.168 1.00 15.12 H new ATOM 0 HD22 LEU A 51 8.224 -14.138 -6.307 1.00 15.12 H new ATOM 0 HD23 LEU A 51 8.571 -14.136 -4.562 1.00 15.12 H new ATOM 824 N GLU A 52 9.887 -9.070 -4.222 1.00 34.53 N ATOM 825 CA GLU A 52 10.781 -7.965 -4.543 1.00 63.42 C ATOM 826 C GLU A 52 11.739 -7.687 -3.387 1.00 32.44 C ATOM 827 O GLU A 52 12.247 -6.575 -3.239 1.00 53.10 O ATOM 828 CB GLU A 52 9.978 -6.705 -4.867 1.00 14.35 C ATOM 829 CG GLU A 52 9.170 -6.178 -3.692 1.00 43.20 C ATOM 830 CD GLU A 52 8.788 -4.720 -3.854 1.00 0.30 C ATOM 831 OE1 GLU A 52 9.612 -3.848 -3.509 1.00 41.23 O1- ATOM 832 OE2 GLU A 52 7.663 -4.451 -4.327 1.00 62.21 O ATOM 0 H GLU A 52 9.091 -8.813 -3.638 1.00 34.53 H new ATOM 0 HA GLU A 52 11.366 -8.248 -5.418 1.00 63.42 H new ATOM 0 HB2 GLU A 52 10.661 -5.926 -5.206 1.00 14.35 H new ATOM 0 HB3 GLU A 52 9.302 -6.918 -5.695 1.00 14.35 H new ATOM 0 HG2 GLU A 52 8.266 -6.776 -3.580 1.00 43.20 H new ATOM 0 HG3 GLU A 52 9.747 -6.299 -2.775 1.00 43.20 H new ATOM 839 N THR A 53 11.980 -8.706 -2.568 1.00 74.03 N ATOM 840 CA THR A 53 12.874 -8.573 -1.425 1.00 32.14 C ATOM 841 C THR A 53 13.826 -9.759 -1.330 1.00 64.11 C ATOM 842 O THR A 53 13.394 -10.910 -1.254 1.00 23.01 O ATOM 843 CB THR A 53 12.085 -8.455 -0.107 1.00 61.54 C ATOM 844 OG1 THR A 53 11.529 -9.727 0.248 1.00 53.34 O ATOM 845 CG2 THR A 53 10.971 -7.426 -0.232 1.00 42.13 C ATOM 0 H THR A 53 11.568 -9.633 -2.675 1.00 74.03 H new ATOM 0 HA THR A 53 13.450 -7.661 -1.579 1.00 32.14 H new ATOM 0 HB THR A 53 12.773 -8.129 0.673 1.00 61.54 H new ATOM 0 HG1 THR A 53 11.080 -10.117 -0.531 1.00 53.34 H new ATOM 0 HG21 THR A 53 10.428 -7.361 0.711 1.00 42.13 H new ATOM 0 HG22 THR A 53 11.400 -6.453 -0.472 1.00 42.13 H new ATOM 0 HG23 THR A 53 10.286 -7.726 -1.025 1.00 42.13 H new ATOM 853 N SER A 54 15.124 -9.471 -1.334 1.00 70.51 N ATOM 854 CA SER A 54 16.138 -10.516 -1.250 1.00 52.23 C ATOM 855 C SER A 54 15.955 -11.353 0.012 1.00 5.45 C ATOM 856 O SER A 54 16.397 -12.499 0.079 1.00 52.52 O ATOM 857 CB SER A 54 17.538 -9.900 -1.270 1.00 5.33 C ATOM 858 OG SER A 54 17.525 -8.624 -1.885 1.00 0.32 O ATOM 0 H SER A 54 15.498 -8.524 -1.394 1.00 70.51 H new ATOM 0 HA SER A 54 16.024 -11.169 -2.116 1.00 52.23 H new ATOM 0 HB2 SER A 54 17.915 -9.812 -0.251 1.00 5.33 H new ATOM 0 HB3 SER A 54 18.221 -10.559 -1.806 1.00 5.33 H new ATOM 0 HG SER A 54 18.431 -8.251 -1.884 1.00 0.32 H new ATOM 864 N GLU A 55 15.301 -10.768 1.011 1.00 33.53 N ATOM 865 CA GLU A 55 15.060 -11.460 2.273 1.00 40.33 C ATOM 866 C GLU A 55 13.810 -12.330 2.186 1.00 30.24 C ATOM 867 O GLU A 55 13.820 -13.492 2.589 1.00 20.30 O ATOM 868 CB GLU A 55 14.914 -10.450 3.413 1.00 13.20 C ATOM 869 CG GLU A 55 15.811 -10.742 4.604 1.00 73.42 C ATOM 870 CD GLU A 55 16.463 -9.494 5.164 1.00 11.32 C ATOM 871 OE1 GLU A 55 17.536 -9.106 4.656 1.00 64.53 O ATOM 872 OE2 GLU A 55 15.901 -8.904 6.110 1.00 11.51 O1- ATOM 0 H GLU A 55 14.929 -9.819 0.972 1.00 33.53 H new ATOM 0 HA GLU A 55 15.916 -12.104 2.475 1.00 40.33 H new ATOM 0 HB2 GLU A 55 15.140 -9.453 3.035 1.00 13.20 H new ATOM 0 HB3 GLU A 55 13.876 -10.437 3.745 1.00 13.20 H new ATOM 0 HG2 GLU A 55 15.224 -11.223 5.387 1.00 73.42 H new ATOM 0 HG3 GLU A 55 16.585 -11.449 4.306 1.00 73.42 H new ATOM 879 N GLY A 56 12.732 -11.758 1.657 1.00 2.45 N ATOM 880 CA GLY A 56 11.488 -12.493 1.529 1.00 72.34 C ATOM 881 C GLY A 56 11.616 -13.690 0.608 1.00 53.03 C ATOM 882 O GLY A 56 11.250 -14.807 0.975 1.00 53.14 O ATOM 0 H GLY A 56 12.699 -10.798 1.315 1.00 2.45 H new ATOM 0 HA2 GLY A 56 11.165 -12.829 2.514 1.00 72.34 H new ATOM 0 HA3 GLY A 56 10.713 -11.827 1.149 1.00 72.34 H new ATOM 886 N CYS A 57 12.136 -13.458 -0.593 1.00 72.43 N ATOM 887 CA CYS A 57 12.310 -14.527 -1.571 1.00 14.13 C ATOM 888 C CYS A 57 13.062 -15.705 -0.961 1.00 54.24 C ATOM 889 O CYS A 57 12.827 -16.859 -1.322 1.00 12.44 O ATOM 890 CB CYS A 57 13.060 -14.006 -2.798 1.00 13.24 C ATOM 891 SG CYS A 57 12.034 -13.848 -4.278 1.00 15.12 S ATOM 0 H CYS A 57 12.444 -12.540 -0.913 1.00 72.43 H new ATOM 0 HA CYS A 57 11.322 -14.871 -1.877 1.00 14.13 H new ATOM 0 HB2 CYS A 57 13.490 -13.033 -2.561 1.00 13.24 H new ATOM 0 HB3 CYS A 57 13.891 -14.677 -3.015 1.00 13.24 H new ATOM 0 HG CYS A 57 11.812 -12.590 -4.520 1.00 15.12 H new ATOM 897 N ARG A 58 13.968 -15.407 -0.037 1.00 52.23 N ATOM 898 CA ARG A 58 14.758 -16.441 0.620 1.00 44.10 C ATOM 899 C ARG A 58 13.899 -17.247 1.591 1.00 4.43 C ATOM 900 O ARG A 58 13.990 -18.472 1.645 1.00 50.14 O ATOM 901 CB ARG A 58 15.939 -15.815 1.366 1.00 31.31 C ATOM 902 CG ARG A 58 17.172 -16.702 1.407 1.00 51.24 C ATOM 903 CD ARG A 58 17.179 -17.591 2.641 1.00 2.32 C ATOM 904 NE ARG A 58 17.325 -16.817 3.871 1.00 33.34 N ATOM 905 CZ ARG A 58 18.479 -16.308 4.288 1.00 51.03 C ATOM 906 NH1 ARG A 58 19.583 -16.491 3.575 1.00 10.44 N1+ ATOM 907 NH2 ARG A 58 18.531 -15.616 5.418 1.00 21.13 N ATOM 0 H ARG A 58 14.174 -14.458 0.274 1.00 52.23 H new ATOM 0 HA ARG A 58 15.138 -17.115 -0.148 1.00 44.10 H new ATOM 0 HB2 ARG A 58 16.198 -14.869 0.891 1.00 31.31 H new ATOM 0 HB3 ARG A 58 15.633 -15.585 2.387 1.00 31.31 H new ATOM 0 HG2 ARG A 58 17.206 -17.322 0.511 1.00 51.24 H new ATOM 0 HG3 ARG A 58 18.068 -16.082 1.399 1.00 51.24 H new ATOM 0 HD2 ARG A 58 16.252 -18.164 2.681 1.00 2.32 H new ATOM 0 HD3 ARG A 58 17.995 -18.310 2.566 1.00 2.32 H new ATOM 0 HE ARG A 58 16.495 -16.658 4.442 1.00 33.34 H new ATOM 0 HH11 ARG A 58 19.546 -17.023 2.706 1.00 10.44 H new ATOM 0 HH12 ARG A 58 20.468 -16.100 3.896 1.00 10.44 H new ATOM 0 HH21 ARG A 58 17.684 -15.474 5.968 1.00 21.13 H new ATOM 0 HH22 ARG A 58 19.418 -15.226 5.737 1.00 21.13 H new ATOM 921 N GLN A 59 13.066 -16.548 2.355 1.00 14.45 N ATOM 922 CA GLN A 59 12.191 -17.197 3.324 1.00 23.41 C ATOM 923 C GLN A 59 11.172 -18.090 2.625 1.00 70.32 C ATOM 924 O GLN A 59 10.896 -19.203 3.074 1.00 14.12 O ATOM 925 CB GLN A 59 11.471 -16.151 4.176 1.00 53.14 C ATOM 926 CG GLN A 59 12.178 -15.839 5.485 1.00 34.52 C ATOM 927 CD GLN A 59 11.474 -16.441 6.685 1.00 32.51 C ATOM 928 OE1 GLN A 59 10.882 -15.728 7.495 1.00 62.31 O ATOM 929 NE2 GLN A 59 11.534 -17.763 6.807 1.00 42.14 N ATOM 0 H GLN A 59 12.979 -15.532 2.322 1.00 14.45 H new ATOM 0 HA GLN A 59 12.808 -17.819 3.972 1.00 23.41 H new ATOM 0 HB2 GLN A 59 11.371 -15.232 3.599 1.00 53.14 H new ATOM 0 HB3 GLN A 59 10.462 -16.503 4.393 1.00 53.14 H new ATOM 0 HG2 GLN A 59 13.200 -16.216 5.441 1.00 34.52 H new ATOM 0 HG3 GLN A 59 12.242 -14.758 5.610 1.00 34.52 H new ATOM 0 HE21 GLN A 59 12.035 -18.317 6.113 1.00 42.14 H new ATOM 0 HE22 GLN A 59 11.079 -18.224 7.595 1.00 42.14 H new ATOM 938 N ILE A 60 10.617 -17.596 1.524 1.00 53.23 N ATOM 939 CA ILE A 60 9.628 -18.350 0.763 1.00 50.34 C ATOM 940 C ILE A 60 10.180 -19.707 0.338 1.00 62.43 C ATOM 941 O ILE A 60 9.460 -20.706 0.330 1.00 71.43 O ATOM 942 CB ILE A 60 9.175 -17.578 -0.491 1.00 22.43 C ATOM 943 CG1 ILE A 60 8.584 -16.223 -0.097 1.00 43.02 C ATOM 944 CG2 ILE A 60 8.161 -18.396 -1.278 1.00 43.04 C ATOM 945 CD1 ILE A 60 8.523 -15.235 -1.240 1.00 35.14 C ATOM 0 H ILE A 60 10.835 -16.677 1.139 1.00 53.23 H new ATOM 0 HA ILE A 60 8.770 -18.498 1.419 1.00 50.34 H new ATOM 0 HB ILE A 60 10.044 -17.403 -1.126 1.00 22.43 H new ATOM 0 HG12 ILE A 60 7.578 -16.375 0.295 1.00 43.02 H new ATOM 0 HG13 ILE A 60 9.180 -15.797 0.710 1.00 43.02 H new ATOM 0 HG21 ILE A 60 7.850 -17.838 -2.161 1.00 43.04 H new ATOM 0 HG22 ILE A 60 8.614 -19.339 -1.585 1.00 43.04 H new ATOM 0 HG23 ILE A 60 7.292 -18.598 -0.652 1.00 43.04 H new ATOM 0 HD11 ILE A 60 8.093 -14.297 -0.888 1.00 35.14 H new ATOM 0 HD12 ILE A 60 9.529 -15.054 -1.618 1.00 35.14 H new ATOM 0 HD13 ILE A 60 7.903 -15.641 -2.039 1.00 35.14 H new ATOM 957 N LEU A 61 11.461 -19.736 -0.011 1.00 32.14 N ATOM 958 CA LEU A 61 12.111 -20.971 -0.435 1.00 71.13 C ATOM 959 C LEU A 61 12.356 -21.893 0.756 1.00 53.14 C ATOM 960 O LEU A 61 12.304 -23.116 0.628 1.00 14.04 O ATOM 961 CB LEU A 61 13.435 -20.661 -1.135 1.00 3.31 C ATOM 962 CG LEU A 61 13.341 -19.803 -2.398 1.00 62.32 C ATOM 963 CD1 LEU A 61 14.618 -19.001 -2.594 1.00 3.33 C ATOM 964 CD2 LEU A 61 13.064 -20.674 -3.614 1.00 55.14 C ATOM 0 H LEU A 61 12.071 -18.918 -0.009 1.00 32.14 H new ATOM 0 HA LEU A 61 11.448 -21.479 -1.135 1.00 71.13 H new ATOM 0 HB2 LEU A 61 14.089 -20.156 -0.424 1.00 3.31 H new ATOM 0 HB3 LEU A 61 13.915 -21.604 -1.395 1.00 3.31 H new ATOM 0 HG LEU A 61 12.512 -19.105 -2.280 1.00 62.32 H new ATOM 0 HD11 LEU A 61 14.533 -18.397 -3.497 1.00 3.33 H new ATOM 0 HD12 LEU A 61 14.774 -18.349 -1.734 1.00 3.33 H new ATOM 0 HD13 LEU A 61 15.464 -19.682 -2.691 1.00 3.33 H new ATOM 0 HD21 LEU A 61 13.000 -20.047 -4.504 1.00 55.14 H new ATOM 0 HD22 LEU A 61 13.871 -21.396 -3.736 1.00 55.14 H new ATOM 0 HD23 LEU A 61 12.122 -21.204 -3.475 1.00 55.14 H new ATOM 976 N GLY A 62 12.624 -21.297 1.913 1.00 30.45 N ATOM 977 CA GLY A 62 12.871 -22.080 3.110 1.00 2.04 C ATOM 978 C GLY A 62 11.675 -22.920 3.512 1.00 11.22 C ATOM 979 O GLY A 62 11.827 -24.063 3.942 1.00 75.03 O ATOM 0 H GLY A 62 12.675 -20.287 2.043 1.00 30.45 H new ATOM 0 HA2 GLY A 62 13.729 -22.732 2.943 1.00 2.04 H new ATOM 0 HA3 GLY A 62 13.133 -21.411 3.930 1.00 2.04 H new ATOM 983 N GLN A 63 10.482 -22.351 3.373 1.00 1.23 N ATOM 984 CA GLN A 63 9.254 -23.055 3.728 1.00 41.21 C ATOM 985 C GLN A 63 8.854 -24.035 2.630 1.00 31.34 C ATOM 986 O GLN A 63 8.180 -25.033 2.892 1.00 55.34 O ATOM 987 CB GLN A 63 8.122 -22.057 3.975 1.00 53.52 C ATOM 988 CG GLN A 63 8.001 -21.621 5.426 1.00 13.10 C ATOM 989 CD GLN A 63 7.104 -20.412 5.600 1.00 35.44 C ATOM 990 OE1 GLN A 63 7.533 -19.371 6.097 1.00 30.51 O ATOM 991 NE2 GLN A 63 5.847 -20.544 5.189 1.00 1.11 N ATOM 0 H GLN A 63 10.339 -21.406 3.018 1.00 1.23 H new ATOM 0 HA GLN A 63 9.438 -23.617 4.643 1.00 41.21 H new ATOM 0 HB2 GLN A 63 8.282 -21.177 3.352 1.00 53.52 H new ATOM 0 HB3 GLN A 63 7.179 -22.504 3.659 1.00 53.52 H new ATOM 0 HG2 GLN A 63 7.609 -22.448 6.018 1.00 13.10 H new ATOM 0 HG3 GLN A 63 8.993 -21.392 5.816 1.00 13.10 H new ATOM 0 HE21 GLN A 63 5.533 -21.425 4.783 1.00 1.11 H new ATOM 0 HE22 GLN A 63 5.196 -19.764 5.280 1.00 1.11 H new ATOM 1000 N LEU A 64 9.271 -23.745 1.403 1.00 52.20 N ATOM 1001 CA LEU A 64 8.954 -24.601 0.265 1.00 40.25 C ATOM 1002 C LEU A 64 9.920 -25.779 0.186 1.00 34.23 C ATOM 1003 O LEU A 64 9.585 -26.833 -0.357 1.00 11.55 O ATOM 1004 CB LEU A 64 9.007 -23.795 -1.035 1.00 32.52 C ATOM 1005 CG LEU A 64 7.835 -22.845 -1.283 1.00 62.11 C ATOM 1006 CD1 LEU A 64 8.053 -22.052 -2.562 1.00 41.10 C ATOM 1007 CD2 LEU A 64 6.526 -23.618 -1.349 1.00 60.43 C ATOM 0 H LEU A 64 9.829 -22.924 1.170 1.00 52.20 H new ATOM 0 HA LEU A 64 7.945 -24.990 0.403 1.00 40.25 H new ATOM 0 HB2 LEU A 64 9.928 -23.213 -1.041 1.00 32.52 H new ATOM 0 HB3 LEU A 64 9.066 -24.493 -1.870 1.00 32.52 H new ATOM 0 HG LEU A 64 7.778 -22.144 -0.450 1.00 62.11 H new ATOM 0 HD11 LEU A 64 7.209 -21.381 -2.722 1.00 41.10 H new ATOM 0 HD12 LEU A 64 8.969 -21.468 -2.476 1.00 41.10 H new ATOM 0 HD13 LEU A 64 8.137 -22.738 -3.405 1.00 41.10 H new ATOM 0 HD21 LEU A 64 5.703 -22.926 -1.526 1.00 60.43 H new ATOM 0 HD22 LEU A 64 6.572 -24.343 -2.162 1.00 60.43 H new ATOM 0 HD23 LEU A 64 6.364 -24.140 -0.406 1.00 60.43 H new ATOM 1019 N GLN A 65 11.117 -25.595 0.732 1.00 63.24 N ATOM 1020 CA GLN A 65 12.130 -26.644 0.723 1.00 22.13 C ATOM 1021 C GLN A 65 11.566 -27.949 1.275 1.00 41.11 C ATOM 1022 O GLN A 65 11.505 -28.968 0.587 1.00 51.32 O ATOM 1023 CB GLN A 65 13.347 -26.212 1.544 1.00 33.30 C ATOM 1024 CG GLN A 65 14.516 -25.738 0.695 1.00 73.43 C ATOM 1025 CD GLN A 65 15.159 -26.863 -0.093 1.00 12.12 C ATOM 1026 OE1 GLN A 65 14.547 -27.429 -1.000 1.00 32.41 O ATOM 1027 NE2 GLN A 65 16.398 -27.194 0.248 1.00 5.40 N ATOM 0 H GLN A 65 11.410 -24.730 1.186 1.00 63.24 H new ATOM 0 HA GLN A 65 12.437 -26.811 -0.309 1.00 22.13 H new ATOM 0 HB2 GLN A 65 13.052 -25.411 2.221 1.00 33.30 H new ATOM 0 HB3 GLN A 65 13.673 -27.048 2.162 1.00 33.30 H new ATOM 0 HG2 GLN A 65 14.171 -24.968 0.005 1.00 73.43 H new ATOM 0 HG3 GLN A 65 15.265 -25.277 1.339 1.00 73.43 H new ATOM 0 HE21 GLN A 65 16.868 -26.699 1.006 1.00 5.40 H new ATOM 0 HE22 GLN A 65 16.880 -27.944 -0.248 1.00 5.40 H new ATOM 1036 N PRO A 66 11.144 -27.921 2.548 1.00 12.11 N ATOM 1037 CA PRO A 66 10.577 -29.093 3.220 1.00 62.31 C ATOM 1038 C PRO A 66 9.206 -29.470 2.671 1.00 73.21 C ATOM 1039 O PRO A 66 8.722 -30.581 2.891 1.00 63.33 O ATOM 1040 CB PRO A 66 10.465 -28.646 4.679 1.00 22.23 C ATOM 1041 CG PRO A 66 10.361 -27.161 4.614 1.00 52.11 C ATOM 1042 CD PRO A 66 11.187 -26.741 3.428 1.00 25.24 C ATOM 0 HA PRO A 66 11.193 -29.981 3.078 1.00 62.31 H new ATOM 0 HB2 PRO A 66 9.591 -29.083 5.161 1.00 22.23 H new ATOM 0 HB3 PRO A 66 11.336 -28.957 5.256 1.00 22.23 H new ATOM 0 HG2 PRO A 66 9.324 -26.847 4.498 1.00 52.11 H new ATOM 0 HG3 PRO A 66 10.733 -26.703 5.531 1.00 52.11 H new ATOM 0 HD2 PRO A 66 10.770 -25.860 2.940 1.00 25.24 H new ATOM 0 HD3 PRO A 66 12.208 -26.492 3.717 1.00 25.24 H new ATOM 1050 N SER A 67 8.584 -28.539 1.955 1.00 33.21 N ATOM 1051 CA SER A 67 7.266 -28.774 1.377 1.00 41.44 C ATOM 1052 C SER A 67 7.380 -29.518 0.049 1.00 24.03 C ATOM 1053 O SER A 67 6.458 -30.226 -0.360 1.00 25.32 O ATOM 1054 CB SER A 67 6.533 -27.446 1.169 1.00 62.22 C ATOM 1055 OG SER A 67 6.808 -26.907 -0.112 1.00 41.44 O ATOM 0 H SER A 67 8.971 -27.615 1.761 1.00 33.21 H new ATOM 0 HA SER A 67 6.696 -29.391 2.072 1.00 41.44 H new ATOM 0 HB2 SER A 67 5.459 -27.598 1.280 1.00 62.22 H new ATOM 0 HB3 SER A 67 6.835 -26.736 1.938 1.00 62.22 H new ATOM 0 HG SER A 67 7.770 -26.962 -0.291 1.00 41.44 H new ATOM 1061 N LEU A 68 8.515 -29.352 -0.619 1.00 24.30 N ATOM 1062 CA LEU A 68 8.751 -30.007 -1.901 1.00 61.43 C ATOM 1063 C LEU A 68 8.587 -31.519 -1.778 1.00 2.40 C ATOM 1064 O LEU A 68 8.269 -32.198 -2.754 1.00 3.03 O ATOM 1065 CB LEU A 68 10.153 -29.675 -2.415 1.00 63.35 C ATOM 1066 CG LEU A 68 10.348 -28.265 -2.972 1.00 62.40 C ATOM 1067 CD1 LEU A 68 11.733 -27.740 -2.625 1.00 31.53 C ATOM 1068 CD2 LEU A 68 10.134 -28.252 -4.478 1.00 34.43 C ATOM 0 H LEU A 68 9.287 -28.769 -0.295 1.00 24.30 H new ATOM 0 HA LEU A 68 8.013 -29.636 -2.612 1.00 61.43 H new ATOM 0 HB2 LEU A 68 10.861 -29.823 -1.600 1.00 63.35 H new ATOM 0 HB3 LEU A 68 10.411 -30.391 -3.195 1.00 63.35 H new ATOM 0 HG LEU A 68 9.608 -27.609 -2.514 1.00 62.40 H new ATOM 0 HD11 LEU A 68 11.853 -26.735 -3.030 1.00 31.53 H new ATOM 0 HD12 LEU A 68 11.850 -27.711 -1.542 1.00 31.53 H new ATOM 0 HD13 LEU A 68 12.489 -28.397 -3.054 1.00 31.53 H new ATOM 0 HD21 LEU A 68 10.277 -27.240 -4.857 1.00 34.43 H new ATOM 0 HD22 LEU A 68 10.851 -28.922 -4.953 1.00 34.43 H new ATOM 0 HD23 LEU A 68 9.121 -28.585 -4.704 1.00 34.43 H new ATOM 1080 N GLN A 69 8.803 -32.036 -0.573 1.00 54.05 N ATOM 1081 CA GLN A 69 8.676 -33.467 -0.324 1.00 71.25 C ATOM 1082 C GLN A 69 7.275 -33.959 -0.672 1.00 5.35 C ATOM 1083 O GLN A 69 7.110 -34.913 -1.432 1.00 64.33 O ATOM 1084 CB GLN A 69 8.992 -33.781 1.140 1.00 40.22 C ATOM 1085 CG GLN A 69 9.429 -35.218 1.373 1.00 71.54 C ATOM 1086 CD GLN A 69 9.694 -35.518 2.835 1.00 5.53 C ATOM 1087 OE1 GLN A 69 10.644 -35.003 3.425 1.00 51.41 O ATOM 1088 NE2 GLN A 69 8.851 -36.355 3.430 1.00 4.25 N ATOM 0 H GLN A 69 9.066 -31.486 0.245 1.00 54.05 H new ATOM 0 HA GLN A 69 9.391 -33.986 -0.962 1.00 71.25 H new ATOM 0 HB2 GLN A 69 9.779 -33.110 1.485 1.00 40.22 H new ATOM 0 HB3 GLN A 69 8.109 -33.576 1.746 1.00 40.22 H new ATOM 0 HG2 GLN A 69 8.658 -35.893 1.002 1.00 71.54 H new ATOM 0 HG3 GLN A 69 10.332 -35.417 0.796 1.00 71.54 H new ATOM 0 HE21 GLN A 69 8.077 -36.759 2.903 1.00 4.25 H new ATOM 0 HE22 GLN A 69 8.978 -36.593 4.414 1.00 4.25 H new ATOM 1097 N THR A 70 6.267 -33.300 -0.109 1.00 21.34 N ATOM 1098 CA THR A 70 4.879 -33.671 -0.358 1.00 40.21 C ATOM 1099 C THR A 70 4.101 -32.511 -0.967 1.00 53.23 C ATOM 1100 O THR A 70 2.975 -32.225 -0.563 1.00 23.15 O ATOM 1101 CB THR A 70 4.176 -34.122 0.938 1.00 44.44 C ATOM 1102 OG1 THR A 70 5.105 -34.809 1.784 1.00 1.11 O ATOM 1103 CG2 THR A 70 2.998 -35.029 0.626 1.00 74.11 C ATOM 0 H THR A 70 6.385 -32.507 0.522 1.00 21.34 H new ATOM 0 HA THR A 70 4.896 -34.503 -1.062 1.00 40.21 H new ATOM 0 HB THR A 70 3.804 -33.236 1.452 1.00 44.44 H new ATOM 0 HG1 THR A 70 4.652 -35.091 2.606 1.00 1.11 H new ATOM 0 HG21 THR A 70 2.518 -35.334 1.556 1.00 74.11 H new ATOM 0 HG22 THR A 70 2.280 -34.492 0.006 1.00 74.11 H new ATOM 0 HG23 THR A 70 3.350 -35.912 0.092 1.00 74.11 H new ATOM 1111 N GLY A 71 4.709 -31.844 -1.945 1.00 25.43 N ATOM 1112 CA GLY A 71 4.057 -30.722 -2.594 1.00 51.22 C ATOM 1113 C GLY A 71 3.370 -31.119 -3.886 1.00 22.52 C ATOM 1114 O GLY A 71 3.461 -32.269 -4.317 1.00 51.25 O ATOM 0 H GLY A 71 5.641 -32.061 -2.298 1.00 25.43 H new ATOM 0 HA2 GLY A 71 3.323 -30.289 -1.914 1.00 51.22 H new ATOM 0 HA3 GLY A 71 4.795 -29.947 -2.802 1.00 51.22 H new ATOM 1118 N SER A 72 2.678 -30.168 -4.503 1.00 52.21 N ATOM 1119 CA SER A 72 1.967 -30.426 -5.750 1.00 40.22 C ATOM 1120 C SER A 72 2.563 -29.610 -6.894 1.00 42.13 C ATOM 1121 O SER A 72 3.612 -28.985 -6.743 1.00 62.41 O ATOM 1122 CB SER A 72 0.481 -30.095 -5.593 1.00 51.04 C ATOM 1123 OG SER A 72 0.220 -28.745 -5.939 1.00 71.44 O ATOM 0 H SER A 72 2.594 -29.211 -4.160 1.00 52.21 H new ATOM 0 HA SER A 72 2.073 -31.485 -5.987 1.00 40.22 H new ATOM 0 HB2 SER A 72 -0.111 -30.757 -6.225 1.00 51.04 H new ATOM 0 HB3 SER A 72 0.171 -30.276 -4.564 1.00 51.04 H new ATOM 0 HG SER A 72 -0.736 -28.559 -5.832 1.00 71.44 H new ATOM 1129 N GLU A 73 1.886 -29.623 -8.037 1.00 60.10 N ATOM 1130 CA GLU A 73 2.348 -28.886 -9.207 1.00 44.01 C ATOM 1131 C GLU A 73 2.587 -27.418 -8.865 1.00 74.23 C ATOM 1132 O GLU A 73 3.645 -26.865 -9.166 1.00 64.40 O ATOM 1133 CB GLU A 73 1.330 -28.997 -10.344 1.00 62.31 C ATOM 1134 CG GLU A 73 1.789 -29.885 -11.488 1.00 63.55 C ATOM 1135 CD GLU A 73 1.173 -29.491 -12.816 1.00 34.20 C ATOM 1136 OE1 GLU A 73 -0.025 -29.779 -13.023 1.00 43.01 O1- ATOM 1137 OE2 GLU A 73 1.889 -28.895 -13.648 1.00 74.32 O ATOM 0 H GLU A 73 1.016 -30.136 -8.178 1.00 60.10 H new ATOM 0 HA GLU A 73 3.292 -29.325 -9.531 1.00 44.01 H new ATOM 0 HB2 GLU A 73 0.394 -29.388 -9.945 1.00 62.31 H new ATOM 0 HB3 GLU A 73 1.120 -28.000 -10.731 1.00 62.31 H new ATOM 0 HG2 GLU A 73 2.875 -29.837 -11.567 1.00 63.55 H new ATOM 0 HG3 GLU A 73 1.531 -30.920 -11.265 1.00 63.55 H new ATOM 1144 N GLU A 74 1.596 -26.794 -8.237 1.00 63.10 N ATOM 1145 CA GLU A 74 1.698 -25.390 -7.856 1.00 71.23 C ATOM 1146 C GLU A 74 2.891 -25.162 -6.932 1.00 33.35 C ATOM 1147 O GLU A 74 3.756 -24.332 -7.209 1.00 41.44 O ATOM 1148 CB GLU A 74 0.410 -24.931 -7.168 1.00 44.04 C ATOM 1149 CG GLU A 74 -0.657 -24.447 -8.135 1.00 30.10 C ATOM 1150 CD GLU A 74 -1.733 -25.487 -8.384 1.00 25.32 C ATOM 1151 OE1 GLU A 74 -1.449 -26.479 -9.087 1.00 13.44 O1- ATOM 1152 OE2 GLU A 74 -2.858 -25.308 -7.873 1.00 14.21 O ATOM 0 H GLU A 74 0.714 -27.238 -7.981 1.00 63.10 H new ATOM 0 HA GLU A 74 1.846 -24.803 -8.763 1.00 71.23 H new ATOM 0 HB2 GLU A 74 0.008 -25.756 -6.580 1.00 44.04 H new ATOM 0 HB3 GLU A 74 0.647 -24.128 -6.470 1.00 44.04 H new ATOM 0 HG2 GLU A 74 -1.117 -23.541 -7.739 1.00 30.10 H new ATOM 0 HG3 GLU A 74 -0.189 -24.179 -9.082 1.00 30.10 H new ATOM 1159 N LEU A 75 2.929 -25.905 -5.830 1.00 12.52 N ATOM 1160 CA LEU A 75 4.014 -25.784 -4.864 1.00 74.54 C ATOM 1161 C LEU A 75 5.367 -26.003 -5.534 1.00 32.02 C ATOM 1162 O LEU A 75 6.390 -25.502 -5.067 1.00 72.42 O ATOM 1163 CB LEU A 75 3.826 -26.793 -3.728 1.00 42.23 C ATOM 1164 CG LEU A 75 4.823 -26.695 -2.573 1.00 20.43 C ATOM 1165 CD1 LEU A 75 4.135 -26.987 -1.248 1.00 72.12 C ATOM 1166 CD2 LEU A 75 5.989 -27.650 -2.793 1.00 12.32 C ATOM 0 H LEU A 75 2.221 -26.597 -5.584 1.00 12.52 H new ATOM 0 HA LEU A 75 3.991 -24.774 -4.454 1.00 74.54 H new ATOM 0 HB2 LEU A 75 2.820 -26.673 -3.325 1.00 42.23 H new ATOM 0 HB3 LEU A 75 3.884 -27.797 -4.147 1.00 42.23 H new ATOM 0 HG LEU A 75 5.213 -25.678 -2.540 1.00 20.43 H new ATOM 0 HD11 LEU A 75 4.860 -26.913 -0.437 1.00 72.12 H new ATOM 0 HD12 LEU A 75 3.335 -26.265 -1.087 1.00 72.12 H new ATOM 0 HD13 LEU A 75 3.717 -27.993 -1.269 1.00 72.12 H new ATOM 0 HD21 LEU A 75 6.689 -27.567 -1.962 1.00 12.32 H new ATOM 0 HD22 LEU A 75 5.616 -28.672 -2.853 1.00 12.32 H new ATOM 0 HD23 LEU A 75 6.498 -27.395 -3.723 1.00 12.32 H new ATOM 1178 N ARG A 76 5.364 -26.753 -6.631 1.00 54.41 N ATOM 1179 CA ARG A 76 6.590 -27.037 -7.366 1.00 52.51 C ATOM 1180 C ARG A 76 6.970 -25.863 -8.265 1.00 51.40 C ATOM 1181 O ARG A 76 8.086 -25.350 -8.194 1.00 41.40 O ATOM 1182 CB ARG A 76 6.424 -28.303 -8.208 1.00 13.30 C ATOM 1183 CG ARG A 76 6.717 -29.584 -7.444 1.00 31.32 C ATOM 1184 CD ARG A 76 7.248 -30.672 -8.364 1.00 14.01 C ATOM 1185 NE ARG A 76 8.166 -31.574 -7.673 1.00 3.34 N ATOM 1186 CZ ARG A 76 8.762 -32.606 -8.258 1.00 53.25 C ATOM 1187 NH1 ARG A 76 8.538 -32.867 -9.539 1.00 12.23 N1+ ATOM 1188 NH2 ARG A 76 9.584 -33.380 -7.563 1.00 61.05 N ATOM 0 H ARG A 76 4.526 -27.175 -7.030 1.00 54.41 H new ATOM 0 HA ARG A 76 7.390 -27.192 -6.642 1.00 52.51 H new ATOM 0 HB2 ARG A 76 5.404 -28.343 -8.591 1.00 13.30 H new ATOM 0 HB3 ARG A 76 7.087 -28.245 -9.071 1.00 13.30 H new ATOM 0 HG2 ARG A 76 7.446 -29.382 -6.659 1.00 31.32 H new ATOM 0 HG3 ARG A 76 5.808 -29.932 -6.953 1.00 31.32 H new ATOM 0 HD2 ARG A 76 6.413 -31.244 -8.768 1.00 14.01 H new ATOM 0 HD3 ARG A 76 7.759 -30.213 -9.210 1.00 14.01 H new ATOM 0 HE ARG A 76 8.360 -31.401 -6.687 1.00 3.34 H new ATOM 0 HH11 ARG A 76 7.906 -32.274 -10.077 1.00 12.23 H new ATOM 0 HH12 ARG A 76 8.997 -33.661 -9.986 1.00 12.23 H new ATOM 0 HH21 ARG A 76 9.759 -33.183 -6.578 1.00 61.05 H new ATOM 0 HH22 ARG A 76 10.041 -34.173 -8.014 1.00 61.05 H new ATOM 1202 N SER A 77 6.033 -25.443 -9.109 1.00 53.32 N ATOM 1203 CA SER A 77 6.271 -24.333 -10.025 1.00 11.05 C ATOM 1204 C SER A 77 6.794 -23.112 -9.274 1.00 21.44 C ATOM 1205 O SER A 77 7.598 -22.342 -9.802 1.00 4.12 O ATOM 1206 CB SER A 77 4.983 -23.974 -10.769 1.00 0.22 C ATOM 1207 OG SER A 77 4.908 -24.649 -12.013 1.00 11.11 O ATOM 0 H SER A 77 5.102 -25.854 -9.178 1.00 53.32 H new ATOM 0 HA SER A 77 7.025 -24.645 -10.747 1.00 11.05 H new ATOM 0 HB2 SER A 77 4.120 -24.236 -10.157 1.00 0.22 H new ATOM 0 HB3 SER A 77 4.942 -22.897 -10.933 1.00 0.22 H new ATOM 0 HG SER A 77 4.075 -24.404 -12.468 1.00 11.11 H new ATOM 1213 N LEU A 78 6.334 -22.943 -8.040 1.00 22.23 N ATOM 1214 CA LEU A 78 6.754 -21.816 -7.214 1.00 3.10 C ATOM 1215 C LEU A 78 8.252 -21.877 -6.934 1.00 43.31 C ATOM 1216 O LEU A 78 8.990 -20.940 -7.243 1.00 72.45 O ATOM 1217 CB LEU A 78 5.978 -21.805 -5.896 1.00 55.12 C ATOM 1218 CG LEU A 78 4.853 -20.775 -5.788 1.00 70.45 C ATOM 1219 CD1 LEU A 78 5.395 -19.370 -5.999 1.00 53.31 C ATOM 1220 CD2 LEU A 78 3.751 -21.080 -6.793 1.00 63.32 C ATOM 0 H LEU A 78 5.670 -23.572 -7.589 1.00 22.23 H new ATOM 0 HA LEU A 78 6.541 -20.897 -7.761 1.00 3.10 H new ATOM 0 HB2 LEU A 78 5.552 -22.796 -5.740 1.00 55.12 H new ATOM 0 HB3 LEU A 78 6.683 -21.630 -5.084 1.00 55.12 H new ATOM 0 HG LEU A 78 4.429 -20.833 -4.786 1.00 70.45 H new ATOM 0 HD11 LEU A 78 4.581 -18.650 -5.919 1.00 53.31 H new ATOM 0 HD12 LEU A 78 6.148 -19.153 -5.241 1.00 53.31 H new ATOM 0 HD13 LEU A 78 5.846 -19.299 -6.989 1.00 53.31 H new ATOM 0 HD21 LEU A 78 2.959 -20.337 -6.701 1.00 63.32 H new ATOM 0 HD22 LEU A 78 4.161 -21.051 -7.803 1.00 63.32 H new ATOM 0 HD23 LEU A 78 3.343 -22.071 -6.596 1.00 63.32 H new ATOM 1232 N TYR A 79 8.696 -22.983 -6.349 1.00 21.04 N ATOM 1233 CA TYR A 79 10.106 -23.166 -6.027 1.00 62.15 C ATOM 1234 C TYR A 79 10.982 -22.908 -7.249 1.00 21.10 C ATOM 1235 O TYR A 79 12.125 -22.471 -7.127 1.00 61.33 O ATOM 1236 CB TYR A 79 10.351 -24.580 -5.499 1.00 61.42 C ATOM 1237 CG TYR A 79 11.570 -24.693 -4.611 1.00 0.54 C ATOM 1238 CD1 TYR A 79 11.583 -24.126 -3.342 1.00 50.02 C ATOM 1239 CD2 TYR A 79 12.708 -25.363 -5.040 1.00 74.32 C ATOM 1240 CE1 TYR A 79 12.695 -24.224 -2.527 1.00 34.52 C ATOM 1241 CE2 TYR A 79 13.823 -25.469 -4.232 1.00 40.12 C ATOM 1242 CZ TYR A 79 13.812 -24.898 -2.977 1.00 31.21 C ATOM 1243 OH TYR A 79 14.922 -24.999 -2.169 1.00 33.55 O ATOM 0 H TYR A 79 8.099 -23.768 -6.088 1.00 21.04 H new ATOM 0 HA TYR A 79 10.372 -22.446 -5.253 1.00 62.15 H new ATOM 0 HB2 TYR A 79 9.474 -24.907 -4.941 1.00 61.42 H new ATOM 0 HB3 TYR A 79 10.463 -25.260 -6.344 1.00 61.42 H new ATOM 0 HD1 TYR A 79 10.709 -23.600 -2.987 1.00 50.02 H new ATOM 0 HD2 TYR A 79 12.721 -25.809 -6.023 1.00 74.32 H new ATOM 0 HE1 TYR A 79 12.690 -23.776 -1.544 1.00 34.52 H new ATOM 0 HE2 TYR A 79 14.699 -25.996 -4.581 1.00 40.12 H new ATOM 0 HH TYR A 79 15.620 -25.505 -2.634 1.00 33.55 H new ATOM 1253 N ASN A 80 10.435 -23.183 -8.429 1.00 40.10 N ATOM 1254 CA ASN A 80 11.165 -22.981 -9.675 1.00 71.22 C ATOM 1255 C ASN A 80 11.343 -21.494 -9.967 1.00 63.20 C ATOM 1256 O ASN A 80 12.465 -21.012 -10.131 1.00 72.20 O ATOM 1257 CB ASN A 80 10.431 -23.655 -10.836 1.00 33.44 C ATOM 1258 CG ASN A 80 10.769 -25.128 -10.957 1.00 61.24 C ATOM 1259 OD1 ASN A 80 11.835 -25.493 -11.455 1.00 41.42 O ATOM 1260 ND2 ASN A 80 9.862 -25.984 -10.501 1.00 71.34 N ATOM 0 H ASN A 80 9.489 -23.546 -8.548 1.00 40.10 H new ATOM 0 HA ASN A 80 12.151 -23.433 -9.566 1.00 71.22 H new ATOM 0 HB2 ASN A 80 9.356 -23.542 -10.697 1.00 33.44 H new ATOM 0 HB3 ASN A 80 10.687 -23.149 -11.767 1.00 33.44 H new ATOM 0 HD21 ASN A 80 10.035 -26.988 -10.556 1.00 71.34 H new ATOM 0 HD22 ASN A 80 8.992 -25.638 -10.096 1.00 71.34 H new ATOM 1267 N THR A 81 10.229 -20.771 -10.030 1.00 60.44 N ATOM 1268 CA THR A 81 10.262 -19.340 -10.303 1.00 24.54 C ATOM 1269 C THR A 81 11.003 -18.588 -9.203 1.00 33.44 C ATOM 1270 O THR A 81 11.903 -17.795 -9.479 1.00 52.21 O ATOM 1271 CB THR A 81 8.840 -18.761 -10.437 1.00 22.31 C ATOM 1272 OG1 THR A 81 8.101 -19.501 -11.415 1.00 0.42 O ATOM 1273 CG2 THR A 81 8.889 -17.294 -10.833 1.00 33.13 C ATOM 0 H THR A 81 9.293 -21.153 -9.896 1.00 60.44 H new ATOM 0 HA THR A 81 10.790 -19.210 -11.248 1.00 24.54 H new ATOM 0 HB THR A 81 8.344 -18.843 -9.470 1.00 22.31 H new ATOM 0 HG1 THR A 81 7.869 -20.381 -11.052 1.00 0.42 H new ATOM 0 HG21 THR A 81 7.874 -16.907 -10.922 1.00 33.13 H new ATOM 0 HG22 THR A 81 9.427 -16.729 -10.072 1.00 33.13 H new ATOM 0 HG23 THR A 81 9.401 -17.192 -11.790 1.00 33.13 H new ATOM 1281 N ILE A 82 10.619 -18.842 -7.957 1.00 4.23 N ATOM 1282 CA ILE A 82 11.248 -18.189 -6.816 1.00 22.30 C ATOM 1283 C ILE A 82 12.754 -18.434 -6.805 1.00 23.50 C ATOM 1284 O ILE A 82 13.517 -17.644 -6.251 1.00 43.31 O ATOM 1285 CB ILE A 82 10.650 -18.681 -5.485 1.00 41.03 C ATOM 1286 CG1 ILE A 82 9.139 -18.442 -5.461 1.00 75.53 C ATOM 1287 CG2 ILE A 82 11.321 -17.982 -4.312 1.00 21.31 C ATOM 1288 CD1 ILE A 82 8.423 -19.212 -4.373 1.00 75.33 C ATOM 0 H ILE A 82 9.875 -19.495 -7.712 1.00 4.23 H new ATOM 0 HA ILE A 82 11.056 -17.121 -6.918 1.00 22.30 H new ATOM 0 HB ILE A 82 10.831 -19.752 -5.396 1.00 41.03 H new ATOM 0 HG12 ILE A 82 8.950 -17.377 -5.326 1.00 75.53 H new ATOM 0 HG13 ILE A 82 8.720 -18.720 -6.428 1.00 75.53 H new ATOM 0 HG21 ILE A 82 10.887 -18.340 -3.378 1.00 21.31 H new ATOM 0 HG22 ILE A 82 12.389 -18.198 -4.322 1.00 21.31 H new ATOM 0 HG23 ILE A 82 11.168 -16.906 -4.394 1.00 21.31 H new ATOM 0 HD11 ILE A 82 7.356 -18.994 -4.415 1.00 75.33 H new ATOM 0 HD12 ILE A 82 8.582 -20.280 -4.519 1.00 75.33 H new ATOM 0 HD13 ILE A 82 8.815 -18.916 -3.400 1.00 75.33 H new ATOM 1300 N ALA A 83 13.173 -19.534 -7.422 1.00 62.23 N ATOM 1301 CA ALA A 83 14.587 -19.881 -7.487 1.00 25.14 C ATOM 1302 C ALA A 83 15.339 -18.949 -8.430 1.00 53.13 C ATOM 1303 O ALA A 83 16.530 -18.695 -8.250 1.00 55.24 O ATOM 1304 CB ALA A 83 14.756 -21.329 -7.925 1.00 25.25 C ATOM 0 H ALA A 83 12.553 -20.200 -7.884 1.00 62.23 H new ATOM 0 HA ALA A 83 15.010 -19.763 -6.490 1.00 25.14 H new ATOM 0 HB1 ALA A 83 15.817 -21.574 -7.969 1.00 25.25 H new ATOM 0 HB2 ALA A 83 14.261 -21.986 -7.209 1.00 25.25 H new ATOM 0 HB3 ALA A 83 14.311 -21.465 -8.911 1.00 25.25 H new ATOM 1310 N VAL A 84 14.636 -18.444 -9.439 1.00 5.05 N ATOM 1311 CA VAL A 84 15.237 -17.539 -10.412 1.00 22.32 C ATOM 1312 C VAL A 84 15.158 -16.092 -9.938 1.00 53.33 C ATOM 1313 O VAL A 84 16.084 -15.307 -10.150 1.00 61.12 O ATOM 1314 CB VAL A 84 14.550 -17.656 -11.785 1.00 51.54 C ATOM 1315 CG1 VAL A 84 15.171 -16.684 -12.777 1.00 12.55 C ATOM 1316 CG2 VAL A 84 14.634 -19.084 -12.303 1.00 43.23 C ATOM 0 H VAL A 84 13.650 -18.646 -9.604 1.00 5.05 H new ATOM 0 HA VAL A 84 16.283 -17.829 -10.511 1.00 22.32 H new ATOM 0 HB VAL A 84 13.498 -17.397 -11.668 1.00 51.54 H new ATOM 0 HG11 VAL A 84 14.673 -16.781 -13.742 1.00 12.55 H new ATOM 0 HG12 VAL A 84 15.054 -15.665 -12.409 1.00 12.55 H new ATOM 0 HG13 VAL A 84 16.231 -16.909 -12.892 1.00 12.55 H new ATOM 0 HG21 VAL A 84 14.143 -19.148 -13.274 1.00 43.23 H new ATOM 0 HG22 VAL A 84 15.680 -19.373 -12.405 1.00 43.23 H new ATOM 0 HG23 VAL A 84 14.139 -19.755 -11.601 1.00 43.23 H new ATOM 1326 N LEU A 85 14.048 -15.744 -9.298 1.00 31.51 N ATOM 1327 CA LEU A 85 13.848 -14.389 -8.793 1.00 73.43 C ATOM 1328 C LEU A 85 14.796 -14.095 -7.635 1.00 21.43 C ATOM 1329 O LEU A 85 15.476 -13.069 -7.621 1.00 52.53 O ATOM 1330 CB LEU A 85 12.399 -14.201 -8.341 1.00 60.33 C ATOM 1331 CG LEU A 85 11.805 -12.809 -8.555 1.00 43.24 C ATOM 1332 CD1 LEU A 85 11.699 -12.496 -10.040 1.00 25.10 C ATOM 1333 CD2 LEU A 85 10.443 -12.702 -7.887 1.00 21.34 C ATOM 0 H LEU A 85 13.272 -16.381 -9.116 1.00 31.51 H new ATOM 0 HA LEU A 85 14.063 -13.690 -9.601 1.00 73.43 H new ATOM 0 HB2 LEU A 85 11.778 -14.924 -8.869 1.00 60.33 H new ATOM 0 HB3 LEU A 85 12.336 -14.442 -7.280 1.00 60.33 H new ATOM 0 HG LEU A 85 12.470 -12.077 -8.097 1.00 43.24 H new ATOM 0 HD11 LEU A 85 11.274 -11.501 -10.173 1.00 25.10 H new ATOM 0 HD12 LEU A 85 12.691 -12.530 -10.491 1.00 25.10 H new ATOM 0 HD13 LEU A 85 11.056 -13.232 -10.522 1.00 25.10 H new ATOM 0 HD21 LEU A 85 10.035 -11.704 -8.050 1.00 21.34 H new ATOM 0 HD22 LEU A 85 9.769 -13.444 -8.315 1.00 21.34 H new ATOM 0 HD23 LEU A 85 10.548 -12.881 -6.817 1.00 21.34 H new ATOM 1345 N TYR A 86 14.837 -15.003 -6.665 1.00 0.20 N ATOM 1346 CA TYR A 86 15.701 -14.839 -5.502 1.00 70.34 C ATOM 1347 C TYR A 86 17.146 -14.592 -5.927 1.00 12.22 C ATOM 1348 O TYR A 86 17.780 -13.635 -5.480 1.00 22.10 O ATOM 1349 CB TYR A 86 15.627 -16.079 -4.608 1.00 52.12 C ATOM 1350 CG TYR A 86 16.646 -16.080 -3.490 1.00 34.13 C ATOM 1351 CD1 TYR A 86 16.571 -15.156 -2.455 1.00 20.21 C ATOM 1352 CD2 TYR A 86 17.680 -17.007 -3.468 1.00 72.05 C ATOM 1353 CE1 TYR A 86 17.500 -15.154 -1.432 1.00 2.11 C ATOM 1354 CE2 TYR A 86 18.612 -17.013 -2.449 1.00 20.32 C ATOM 1355 CZ TYR A 86 18.518 -16.085 -1.433 1.00 13.34 C ATOM 1356 OH TYR A 86 19.444 -16.087 -0.416 1.00 4.23 O ATOM 0 H TYR A 86 14.282 -15.859 -6.661 1.00 0.20 H new ATOM 0 HA TYR A 86 15.352 -13.972 -4.941 1.00 70.34 H new ATOM 0 HB2 TYR A 86 14.628 -16.148 -4.178 1.00 52.12 H new ATOM 0 HB3 TYR A 86 15.772 -16.968 -5.221 1.00 52.12 H new ATOM 0 HD1 TYR A 86 15.774 -14.428 -2.450 1.00 20.21 H new ATOM 0 HD2 TYR A 86 17.756 -17.736 -4.261 1.00 72.05 H new ATOM 0 HE1 TYR A 86 17.429 -14.428 -0.636 1.00 2.11 H new ATOM 0 HE2 TYR A 86 19.410 -17.740 -2.448 1.00 20.32 H new ATOM 0 HH TYR A 86 20.093 -16.806 -0.566 1.00 4.23 H new ATOM 1366 N CYS A 87 17.657 -15.458 -6.794 1.00 72.23 N ATOM 1367 CA CYS A 87 19.027 -15.334 -7.281 1.00 11.11 C ATOM 1368 C CYS A 87 19.287 -13.932 -7.822 1.00 25.22 C ATOM 1369 O CYS A 87 20.352 -13.356 -7.597 1.00 55.01 O ATOM 1370 CB CYS A 87 19.299 -16.373 -8.370 1.00 21.12 C ATOM 1371 SG CYS A 87 19.984 -17.928 -7.752 1.00 53.54 S ATOM 0 H CYS A 87 17.144 -16.253 -7.175 1.00 72.23 H new ATOM 0 HA CYS A 87 19.702 -15.511 -6.443 1.00 11.11 H new ATOM 0 HB2 CYS A 87 18.369 -16.583 -8.898 1.00 21.12 H new ATOM 0 HB3 CYS A 87 19.990 -15.948 -9.098 1.00 21.12 H new ATOM 0 HG CYS A 87 20.177 -18.743 -8.746 1.00 53.54 H new ATOM 1377 N VAL A 88 18.308 -13.388 -8.535 1.00 14.20 N ATOM 1378 CA VAL A 88 18.431 -12.053 -9.109 1.00 13.44 C ATOM 1379 C VAL A 88 18.656 -11.006 -8.023 1.00 74.24 C ATOM 1380 O VAL A 88 19.420 -10.059 -8.210 1.00 3.04 O ATOM 1381 CB VAL A 88 17.177 -11.673 -9.920 1.00 24.22 C ATOM 1382 CG1 VAL A 88 17.311 -10.266 -10.482 1.00 30.04 C ATOM 1383 CG2 VAL A 88 16.937 -12.681 -11.034 1.00 2.12 C ATOM 0 H VAL A 88 17.420 -13.851 -8.730 1.00 14.20 H new ATOM 0 HA VAL A 88 19.294 -12.073 -9.775 1.00 13.44 H new ATOM 0 HB VAL A 88 16.315 -11.691 -9.253 1.00 24.22 H new ATOM 0 HG11 VAL A 88 16.416 -10.015 -11.052 1.00 30.04 H new ATOM 0 HG12 VAL A 88 17.430 -9.557 -9.663 1.00 30.04 H new ATOM 0 HG13 VAL A 88 18.182 -10.216 -11.135 1.00 30.04 H new ATOM 0 HG21 VAL A 88 16.048 -12.397 -11.596 1.00 2.12 H new ATOM 0 HG22 VAL A 88 17.798 -12.697 -11.702 1.00 2.12 H new ATOM 0 HG23 VAL A 88 16.793 -13.672 -10.603 1.00 2.12 H new ATOM 1393 N HIS A 89 17.989 -11.186 -6.888 1.00 34.24 N ATOM 1394 CA HIS A 89 18.118 -10.258 -5.770 1.00 33.34 C ATOM 1395 C HIS A 89 19.325 -10.612 -4.907 1.00 21.32 C ATOM 1396 O HIS A 89 19.690 -9.781 -4.077 1.00 34.04 O ATOM 1397 CB HIS A 89 16.846 -10.272 -4.919 1.00 45.43 C ATOM 1398 CG HIS A 89 15.594 -10.042 -5.709 1.00 44.13 C ATOM 1399 ND1 HIS A 89 15.571 -9.337 -6.893 1.00 2.22 N ATOM 1400 CD2 HIS A 89 14.319 -10.429 -5.478 1.00 24.24 C ATOM 1401 CE1 HIS A 89 14.334 -9.299 -7.356 1.00 62.14 C ATOM 1402 NE2 HIS A 89 13.554 -9.956 -6.515 1.00 40.22 N ATOM 0 H HIS A 89 17.354 -11.966 -6.718 1.00 34.24 H new ATOM 0 HA HIS A 89 18.264 -9.257 -6.175 1.00 33.34 H new ATOM 0 HB2 HIS A 89 16.772 -11.231 -4.407 1.00 45.43 H new ATOM 0 HB3 HIS A 89 16.926 -9.505 -4.149 1.00 45.43 H new ATOM 0 HD2 HIS A 89 13.968 -11.004 -4.634 1.00 24.24 H new ATOM 0 HE1 HIS A 89 14.015 -8.814 -8.266 1.00 62.14 H new ATOM 0 HE2 HIS A 89 12.548 -10.090 -6.620 1.00 40.22 H new ATOM 1411 N GLN A 90 19.932 -11.783 -5.075 1.00 62.11 N ATOM 1412 CA GLN A 90 21.088 -12.165 -4.273 1.00 45.54 C ATOM 1413 C GLN A 90 22.383 -11.971 -5.057 1.00 2.21 C ATOM 1414 O GLN A 90 23.384 -12.638 -4.796 1.00 1.11 O ATOM 1415 CB GLN A 90 20.965 -13.621 -3.823 1.00 14.12 C ATOM 1416 CG GLN A 90 21.546 -13.883 -2.443 1.00 63.11 C ATOM 1417 CD GLN A 90 22.654 -14.916 -2.463 1.00 62.51 C ATOM 1418 OE1 GLN A 90 22.396 -16.120 -2.491 1.00 63.43 O ATOM 1419 NE2 GLN A 90 23.899 -14.451 -2.447 1.00 15.32 N ATOM 0 H GLN A 90 19.643 -12.483 -5.759 1.00 62.11 H new ATOM 0 HA GLN A 90 21.116 -11.521 -3.394 1.00 45.54 H new ATOM 0 HB2 GLN A 90 19.913 -13.905 -3.825 1.00 14.12 H new ATOM 0 HB3 GLN A 90 21.469 -14.260 -4.548 1.00 14.12 H new ATOM 0 HG2 GLN A 90 21.932 -12.950 -2.032 1.00 63.11 H new ATOM 0 HG3 GLN A 90 20.752 -14.220 -1.777 1.00 63.11 H new ATOM 0 HE21 GLN A 90 24.068 -13.445 -2.424 1.00 15.32 H new ATOM 0 HE22 GLN A 90 24.686 -15.100 -2.458 1.00 15.32 H new ATOM 1428 N ARG A 91 22.355 -11.053 -6.018 1.00 15.11 N ATOM 1429 CA ARG A 91 23.525 -10.773 -6.841 1.00 52.12 C ATOM 1430 C ARG A 91 23.969 -12.021 -7.598 1.00 41.24 C ATOM 1431 O ARG A 91 25.165 -12.280 -7.740 1.00 14.54 O ATOM 1432 CB ARG A 91 24.672 -10.253 -5.973 1.00 71.04 C ATOM 1433 CG ARG A 91 25.505 -9.176 -6.646 1.00 44.51 C ATOM 1434 CD ARG A 91 26.616 -8.678 -5.734 1.00 63.40 C ATOM 1435 NE ARG A 91 26.935 -7.273 -5.974 1.00 34.04 N ATOM 1436 CZ ARG A 91 26.143 -6.269 -5.613 1.00 4.21 C ATOM 1437 NH1 ARG A 91 24.994 -6.513 -4.998 1.00 73.41 N1+ ATOM 1438 NH2 ARG A 91 26.503 -5.017 -5.866 1.00 35.13 N ATOM 0 H ARG A 91 21.535 -10.491 -6.245 1.00 15.11 H new ATOM 0 HA ARG A 91 23.253 -10.007 -7.568 1.00 52.12 H new ATOM 0 HB2 ARG A 91 24.262 -9.856 -5.044 1.00 71.04 H new ATOM 0 HB3 ARG A 91 25.320 -11.087 -5.705 1.00 71.04 H new ATOM 0 HG2 ARG A 91 25.937 -9.571 -7.565 1.00 44.51 H new ATOM 0 HG3 ARG A 91 24.863 -8.341 -6.928 1.00 44.51 H new ATOM 0 HD2 ARG A 91 26.317 -8.809 -4.694 1.00 63.40 H new ATOM 0 HD3 ARG A 91 27.509 -9.284 -5.887 1.00 63.40 H new ATOM 0 HE ARG A 91 27.813 -7.051 -6.444 1.00 34.04 H new ATOM 0 HH11 ARG A 91 24.715 -7.474 -4.800 1.00 73.41 H new ATOM 0 HH12 ARG A 91 24.389 -5.740 -4.722 1.00 73.41 H new ATOM 0 HH21 ARG A 91 27.387 -4.826 -6.337 1.00 35.13 H new ATOM 0 HH22 ARG A 91 25.896 -4.246 -5.589 1.00 35.13 H new ATOM 1452 N ILE A 92 23.000 -12.791 -8.080 1.00 10.41 N ATOM 1453 CA ILE A 92 23.291 -14.011 -8.823 1.00 3.35 C ATOM 1454 C ILE A 92 22.746 -13.934 -10.244 1.00 1.25 C ATOM 1455 O ILE A 92 21.687 -13.351 -10.483 1.00 44.32 O ATOM 1456 CB ILE A 92 22.700 -15.249 -8.124 1.00 34.25 C ATOM 1457 CG1 ILE A 92 23.130 -15.289 -6.656 1.00 14.21 C ATOM 1458 CG2 ILE A 92 23.131 -16.519 -8.843 1.00 23.10 C ATOM 1459 CD1 ILE A 92 22.573 -16.472 -5.895 1.00 12.45 C ATOM 0 H ILE A 92 22.006 -12.592 -7.969 1.00 10.41 H new ATOM 0 HA ILE A 92 24.376 -14.107 -8.859 1.00 3.35 H new ATOM 0 HB ILE A 92 21.613 -15.184 -8.162 1.00 34.25 H new ATOM 0 HG12 ILE A 92 24.219 -15.315 -6.605 1.00 14.21 H new ATOM 0 HG13 ILE A 92 22.810 -14.369 -6.167 1.00 14.21 H new ATOM 0 HG21 ILE A 92 22.705 -17.386 -8.337 1.00 23.10 H new ATOM 0 HG22 ILE A 92 22.778 -16.491 -9.874 1.00 23.10 H new ATOM 0 HG23 ILE A 92 24.219 -16.591 -8.834 1.00 23.10 H new ATOM 0 HD11 ILE A 92 22.919 -16.436 -4.862 1.00 12.45 H new ATOM 0 HD12 ILE A 92 21.484 -16.437 -5.914 1.00 12.45 H new ATOM 0 HD13 ILE A 92 22.915 -17.397 -6.360 1.00 12.45 H new ATOM 1471 N ASP A 93 23.473 -14.526 -11.185 1.00 0.15 N ATOM 1472 CA ASP A 93 23.060 -14.527 -12.583 1.00 60.14 C ATOM 1473 C ASP A 93 23.071 -15.943 -13.152 1.00 62.04 C ATOM 1474 O ASP A 93 24.125 -16.567 -13.271 1.00 11.22 O ATOM 1475 CB ASP A 93 23.980 -13.626 -13.409 1.00 72.12 C ATOM 1476 CG ASP A 93 25.445 -13.963 -13.217 1.00 4.40 C ATOM 1477 OD1 ASP A 93 25.976 -13.697 -12.119 1.00 25.52 O1- ATOM 1478 OD2 ASP A 93 26.062 -14.492 -14.166 1.00 72.02 O ATOM 0 H ASP A 93 24.352 -15.012 -11.005 1.00 0.15 H new ATOM 0 HA ASP A 93 22.042 -14.141 -12.636 1.00 60.14 H new ATOM 0 HB2 ASP A 93 23.724 -13.720 -14.464 1.00 72.12 H new ATOM 0 HB3 ASP A 93 23.810 -12.586 -13.131 1.00 72.12 H new ATOM 1483 N VAL A 94 21.890 -16.444 -13.501 1.00 25.52 N ATOM 1484 CA VAL A 94 21.763 -17.786 -14.057 1.00 20.12 C ATOM 1485 C VAL A 94 21.153 -17.746 -15.453 1.00 72.11 C ATOM 1486 O VAL A 94 20.738 -16.691 -15.932 1.00 44.20 O ATOM 1487 CB VAL A 94 20.898 -18.687 -13.155 1.00 32.20 C ATOM 1488 CG1 VAL A 94 21.618 -18.983 -11.847 1.00 13.54 C ATOM 1489 CG2 VAL A 94 19.547 -18.040 -12.896 1.00 13.14 C ATOM 0 H VAL A 94 21.008 -15.941 -13.408 1.00 25.52 H new ATOM 0 HA VAL A 94 22.769 -18.202 -14.115 1.00 20.12 H new ATOM 0 HB VAL A 94 20.729 -19.633 -13.670 1.00 32.20 H new ATOM 0 HG11 VAL A 94 20.992 -19.621 -11.223 1.00 13.54 H new ATOM 0 HG12 VAL A 94 22.559 -19.492 -12.057 1.00 13.54 H new ATOM 0 HG13 VAL A 94 21.820 -18.049 -11.323 1.00 13.54 H new ATOM 0 HG21 VAL A 94 18.949 -18.690 -12.257 1.00 13.14 H new ATOM 0 HG22 VAL A 94 19.692 -17.079 -12.402 1.00 13.14 H new ATOM 0 HG23 VAL A 94 19.030 -17.886 -13.843 1.00 13.14 H new ATOM 1499 N LYS A 95 21.100 -18.905 -16.102 1.00 15.54 N ATOM 1500 CA LYS A 95 20.539 -19.005 -17.444 1.00 22.43 C ATOM 1501 C LYS A 95 19.185 -19.708 -17.416 1.00 50.04 C ATOM 1502 O LYS A 95 18.318 -19.439 -18.248 1.00 0.21 O ATOM 1503 CB LYS A 95 21.499 -19.760 -18.366 1.00 22.42 C ATOM 1504 CG LYS A 95 22.467 -18.855 -19.108 1.00 41.10 C ATOM 1505 CD LYS A 95 22.187 -18.843 -20.601 1.00 74.43 C ATOM 1506 CE LYS A 95 22.903 -19.982 -21.311 1.00 51.12 C ATOM 1507 NZ LYS A 95 22.032 -21.181 -21.455 1.00 30.20 N1+ ATOM 0 H LYS A 95 21.439 -19.788 -15.720 1.00 15.54 H new ATOM 0 HA LYS A 95 20.397 -17.995 -17.828 1.00 22.43 H new ATOM 0 HB2 LYS A 95 22.067 -20.479 -17.775 1.00 22.42 H new ATOM 0 HB3 LYS A 95 20.919 -20.331 -19.092 1.00 22.42 H new ATOM 0 HG2 LYS A 95 22.392 -17.841 -18.715 1.00 41.10 H new ATOM 0 HG3 LYS A 95 23.489 -19.191 -18.931 1.00 41.10 H new ATOM 0 HD2 LYS A 95 21.113 -18.924 -20.772 1.00 74.43 H new ATOM 0 HD3 LYS A 95 22.506 -17.891 -21.025 1.00 74.43 H new ATOM 0 HE2 LYS A 95 23.227 -19.648 -22.297 1.00 51.12 H new ATOM 0 HE3 LYS A 95 23.801 -20.250 -20.754 1.00 51.12 H new ATOM 0 HZ1 LYS A 95 22.482 -21.862 -22.100 1.00 30.20 H new ATOM 0 HZ2 LYS A 95 21.895 -21.624 -20.524 1.00 30.20 H new ATOM 0 HZ3 LYS A 95 21.110 -20.896 -21.842 1.00 30.20 H new ATOM 1521 N ASP A 96 19.012 -20.608 -16.455 1.00 33.15 N ATOM 1522 CA ASP A 96 17.762 -21.349 -16.318 1.00 32.05 C ATOM 1523 C ASP A 96 17.386 -21.511 -14.849 1.00 22.32 C ATOM 1524 O ASP A 96 18.076 -21.011 -13.959 1.00 55.33 O ATOM 1525 CB ASP A 96 17.882 -22.721 -16.981 1.00 52.34 C ATOM 1526 CG ASP A 96 19.225 -23.374 -16.723 1.00 63.14 C ATOM 1527 OD1 ASP A 96 19.403 -23.955 -15.632 1.00 73.21 O ATOM 1528 OD2 ASP A 96 20.099 -23.304 -17.612 1.00 62.40 O1- ATOM 0 H ASP A 96 19.720 -20.843 -15.759 1.00 33.15 H new ATOM 0 HA ASP A 96 16.975 -20.782 -16.816 1.00 32.05 H new ATOM 0 HB2 ASP A 96 17.089 -23.370 -16.611 1.00 52.34 H new ATOM 0 HB3 ASP A 96 17.733 -22.616 -18.056 1.00 52.34 H new ATOM 1533 N THR A 97 16.284 -22.214 -14.599 1.00 1.30 N ATOM 1534 CA THR A 97 15.815 -22.441 -13.238 1.00 12.52 C ATOM 1535 C THR A 97 16.528 -23.627 -12.601 1.00 63.23 C ATOM 1536 O THR A 97 16.641 -23.713 -11.378 1.00 21.50 O ATOM 1537 CB THR A 97 14.294 -22.691 -13.203 1.00 64.25 C ATOM 1538 OG1 THR A 97 13.599 -21.555 -13.728 1.00 1.43 O ATOM 1539 CG2 THR A 97 13.825 -22.968 -11.783 1.00 64.25 C ATOM 0 H THR A 97 15.701 -22.635 -15.322 1.00 1.30 H new ATOM 0 HA THR A 97 16.041 -21.538 -12.671 1.00 12.52 H new ATOM 0 HB THR A 97 14.076 -23.565 -13.818 1.00 64.25 H new ATOM 0 HG1 THR A 97 13.844 -21.427 -14.668 1.00 1.43 H new ATOM 0 HG21 THR A 97 12.749 -23.141 -11.783 1.00 64.25 H new ATOM 0 HG22 THR A 97 14.335 -23.851 -11.397 1.00 64.25 H new ATOM 0 HG23 THR A 97 14.055 -22.111 -11.150 1.00 64.25 H new ATOM 1547 N LYS A 98 17.010 -24.540 -13.437 1.00 64.42 N ATOM 1548 CA LYS A 98 17.716 -25.722 -12.957 1.00 23.13 C ATOM 1549 C LYS A 98 19.048 -25.339 -12.318 1.00 73.03 C ATOM 1550 O LYS A 98 19.433 -25.889 -11.288 1.00 62.41 O ATOM 1551 CB LYS A 98 17.953 -26.704 -14.106 1.00 15.42 C ATOM 1552 CG LYS A 98 18.852 -27.869 -13.735 1.00 72.44 C ATOM 1553 CD LYS A 98 18.231 -28.730 -12.648 1.00 31.14 C ATOM 1554 CE LYS A 98 18.296 -30.207 -13.000 1.00 71.41 C ATOM 1555 NZ LYS A 98 17.889 -31.070 -11.856 1.00 3.42 N1+ ATOM 0 H LYS A 98 16.924 -24.484 -14.452 1.00 64.42 H new ATOM 0 HA LYS A 98 17.095 -26.202 -12.201 1.00 23.13 H new ATOM 0 HB2 LYS A 98 16.992 -27.091 -14.446 1.00 15.42 H new ATOM 0 HB3 LYS A 98 18.395 -26.168 -14.946 1.00 15.42 H new ATOM 0 HG2 LYS A 98 19.042 -28.478 -14.619 1.00 72.44 H new ATOM 0 HG3 LYS A 98 19.816 -27.491 -13.395 1.00 72.44 H new ATOM 0 HD2 LYS A 98 18.750 -28.557 -11.705 1.00 31.14 H new ATOM 0 HD3 LYS A 98 17.192 -28.436 -12.499 1.00 31.14 H new ATOM 0 HE2 LYS A 98 17.647 -30.406 -13.853 1.00 71.41 H new ATOM 0 HE3 LYS A 98 19.311 -30.463 -13.305 1.00 71.41 H new ATOM 0 HZ1 LYS A 98 17.947 -32.070 -12.137 1.00 3.42 H new ATOM 0 HZ2 LYS A 98 18.523 -30.900 -11.050 1.00 3.42 H new ATOM 0 HZ3 LYS A 98 16.912 -30.844 -11.581 1.00 3.42 H new ATOM 1569 N GLU A 99 19.744 -24.391 -12.938 1.00 63.32 N ATOM 1570 CA GLU A 99 21.033 -23.935 -12.429 1.00 13.14 C ATOM 1571 C GLU A 99 20.854 -23.115 -11.155 1.00 25.34 C ATOM 1572 O GLU A 99 21.575 -23.306 -10.176 1.00 24.04 O ATOM 1573 CB GLU A 99 21.758 -23.102 -13.488 1.00 61.42 C ATOM 1574 CG GLU A 99 23.270 -23.242 -13.441 1.00 60.32 C ATOM 1575 CD GLU A 99 23.987 -21.996 -13.924 1.00 21.33 C ATOM 1576 OE1 GLU A 99 23.678 -20.899 -13.412 1.00 44.53 O1- ATOM 1577 OE2 GLU A 99 24.856 -22.118 -14.811 1.00 53.34 O ATOM 0 H GLU A 99 19.438 -23.924 -13.792 1.00 63.32 H new ATOM 0 HA GLU A 99 21.634 -24.813 -12.194 1.00 13.14 H new ATOM 0 HB2 GLU A 99 21.405 -23.398 -14.476 1.00 61.42 H new ATOM 0 HB3 GLU A 99 21.494 -22.053 -13.356 1.00 61.42 H new ATOM 0 HG2 GLU A 99 23.579 -23.461 -12.419 1.00 60.32 H new ATOM 0 HG3 GLU A 99 23.572 -24.091 -14.054 1.00 60.32 H new ATOM 1584 N ALA A 100 19.889 -22.202 -11.175 1.00 14.50 N ATOM 1585 CA ALA A 100 19.615 -21.353 -10.023 1.00 12.00 C ATOM 1586 C ALA A 100 19.424 -22.187 -8.761 1.00 3.10 C ATOM 1587 O ALA A 100 19.719 -21.732 -7.654 1.00 71.42 O ATOM 1588 CB ALA A 100 18.386 -20.493 -10.280 1.00 74.53 C ATOM 0 H ALA A 100 19.283 -22.031 -11.978 1.00 14.50 H new ATOM 0 HA ALA A 100 20.475 -20.701 -9.871 1.00 12.00 H new ATOM 0 HB1 ALA A 100 18.194 -19.864 -9.411 1.00 74.53 H new ATOM 0 HB2 ALA A 100 18.559 -19.863 -11.153 1.00 74.53 H new ATOM 0 HB3 ALA A 100 17.524 -21.135 -10.461 1.00 74.53 H new ATOM 1594 N LEU A 101 18.930 -23.408 -8.933 1.00 1.44 N ATOM 1595 CA LEU A 101 18.699 -24.305 -7.806 1.00 71.12 C ATOM 1596 C LEU A 101 20.018 -24.846 -7.262 1.00 33.22 C ATOM 1597 O LEU A 101 20.168 -25.045 -6.057 1.00 72.44 O ATOM 1598 CB LEU A 101 17.796 -25.465 -8.229 1.00 13.14 C ATOM 1599 CG LEU A 101 16.549 -25.691 -7.374 1.00 11.44 C ATOM 1600 CD1 LEU A 101 16.937 -26.092 -5.960 1.00 31.30 C ATOM 1601 CD2 LEU A 101 15.681 -24.441 -7.357 1.00 5.13 C ATOM 0 H LEU A 101 18.682 -23.800 -9.842 1.00 1.44 H new ATOM 0 HA LEU A 101 18.206 -23.737 -7.017 1.00 71.12 H new ATOM 0 HB2 LEU A 101 17.480 -25.297 -9.259 1.00 13.14 H new ATOM 0 HB3 LEU A 101 18.387 -26.381 -8.222 1.00 13.14 H new ATOM 0 HG LEU A 101 15.972 -26.504 -7.814 1.00 11.44 H new ATOM 0 HD11 LEU A 101 16.036 -26.249 -5.366 1.00 31.30 H new ATOM 0 HD12 LEU A 101 17.517 -27.014 -5.990 1.00 31.30 H new ATOM 0 HD13 LEU A 101 17.536 -25.301 -5.509 1.00 31.30 H new ATOM 0 HD21 LEU A 101 14.798 -24.620 -6.744 1.00 5.13 H new ATOM 0 HD22 LEU A 101 16.249 -23.609 -6.941 1.00 5.13 H new ATOM 0 HD23 LEU A 101 15.373 -24.198 -8.374 1.00 5.13 H new ATOM 1613 N ASP A 102 20.970 -25.079 -8.158 1.00 31.10 N ATOM 1614 CA ASP A 102 22.278 -25.594 -7.768 1.00 10.20 C ATOM 1615 C ASP A 102 23.072 -24.538 -7.005 1.00 61.21 C ATOM 1616 O ASP A 102 23.863 -24.860 -6.120 1.00 24.23 O ATOM 1617 CB ASP A 102 23.061 -26.046 -9.002 1.00 34.04 C ATOM 1618 CG ASP A 102 22.299 -27.059 -9.833 1.00 32.21 C ATOM 1619 OD1 ASP A 102 21.922 -28.115 -9.282 1.00 51.11 O ATOM 1620 OD2 ASP A 102 22.077 -26.796 -11.033 1.00 20.24 O1- ATOM 0 H ASP A 102 20.861 -24.920 -9.160 1.00 31.10 H new ATOM 0 HA ASP A 102 22.123 -26.451 -7.112 1.00 10.20 H new ATOM 0 HB2 ASP A 102 23.295 -25.178 -9.618 1.00 34.04 H new ATOM 0 HB3 ASP A 102 24.011 -26.479 -8.687 1.00 34.04 H new ATOM 1625 N LYS A 103 22.855 -23.275 -7.356 1.00 44.23 N ATOM 1626 CA LYS A 103 23.550 -22.170 -6.705 1.00 54.20 C ATOM 1627 C LYS A 103 23.116 -22.038 -5.250 1.00 25.23 C ATOM 1628 O LYS A 103 23.951 -21.909 -4.352 1.00 74.35 O ATOM 1629 CB LYS A 103 23.278 -20.861 -7.450 1.00 41.05 C ATOM 1630 CG LYS A 103 24.054 -20.728 -8.749 1.00 73.52 C ATOM 1631 CD LYS A 103 25.436 -20.140 -8.517 1.00 3.04 C ATOM 1632 CE LYS A 103 26.463 -20.738 -9.465 1.00 44.23 C ATOM 1633 NZ LYS A 103 27.392 -21.665 -8.763 1.00 74.43 N1+ ATOM 0 H LYS A 103 22.203 -22.991 -8.088 1.00 44.23 H new ATOM 0 HA LYS A 103 24.619 -22.380 -6.730 1.00 54.20 H new ATOM 0 HB2 LYS A 103 22.212 -20.790 -7.665 1.00 41.05 H new ATOM 0 HB3 LYS A 103 23.529 -20.023 -6.799 1.00 41.05 H new ATOM 0 HG2 LYS A 103 24.149 -21.707 -9.219 1.00 73.52 H new ATOM 0 HG3 LYS A 103 23.500 -20.094 -9.441 1.00 73.52 H new ATOM 0 HD2 LYS A 103 25.400 -19.059 -8.653 1.00 3.04 H new ATOM 0 HD3 LYS A 103 25.741 -20.322 -7.487 1.00 3.04 H new ATOM 0 HE2 LYS A 103 25.951 -21.274 -10.264 1.00 44.23 H new ATOM 0 HE3 LYS A 103 27.035 -19.937 -9.933 1.00 44.23 H new ATOM 0 HZ1 LYS A 103 28.077 -22.052 -9.444 1.00 74.43 H new ATOM 0 HZ2 LYS A 103 27.900 -21.148 -8.017 1.00 74.43 H new ATOM 0 HZ3 LYS A 103 26.850 -22.444 -8.337 1.00 74.43 H new ATOM 1647 N ILE A 104 21.808 -22.071 -5.021 1.00 3.55 N ATOM 1648 CA ILE A 104 21.265 -21.957 -3.672 1.00 11.20 C ATOM 1649 C ILE A 104 21.606 -23.187 -2.837 1.00 2.23 C ATOM 1650 O ILE A 104 21.820 -23.088 -1.629 1.00 13.44 O ATOM 1651 CB ILE A 104 19.737 -21.772 -3.695 1.00 33.53 C ATOM 1652 CG1 ILE A 104 19.363 -20.526 -4.499 1.00 34.11 C ATOM 1653 CG2 ILE A 104 19.194 -21.678 -2.276 1.00 14.04 C ATOM 1654 CD1 ILE A 104 17.891 -20.444 -4.836 1.00 14.24 C ATOM 0 H ILE A 104 21.104 -22.176 -5.752 1.00 3.55 H new ATOM 0 HA ILE A 104 21.722 -21.077 -3.220 1.00 11.20 H new ATOM 0 HB ILE A 104 19.288 -22.640 -4.178 1.00 33.53 H new ATOM 0 HG12 ILE A 104 19.648 -19.639 -3.933 1.00 34.11 H new ATOM 0 HG13 ILE A 104 19.940 -20.513 -5.423 1.00 34.11 H new ATOM 0 HG21 ILE A 104 18.112 -21.547 -2.308 1.00 14.04 H new ATOM 0 HG22 ILE A 104 19.433 -22.593 -1.734 1.00 14.04 H new ATOM 0 HG23 ILE A 104 19.647 -20.826 -1.769 1.00 14.04 H new ATOM 0 HD11 ILE A 104 17.698 -19.535 -5.407 1.00 14.24 H new ATOM 0 HD12 ILE A 104 17.605 -21.312 -5.429 1.00 14.24 H new ATOM 0 HD13 ILE A 104 17.308 -20.425 -3.916 1.00 14.24 H new ATOM 1666 N GLU A 105 21.657 -24.343 -3.490 1.00 23.21 N ATOM 1667 CA GLU A 105 21.973 -25.592 -2.807 1.00 24.23 C ATOM 1668 C GLU A 105 23.393 -25.562 -2.248 1.00 20.11 C ATOM 1669 O GLU A 105 23.686 -26.200 -1.238 1.00 21.43 O ATOM 1670 CB GLU A 105 21.814 -26.776 -3.763 1.00 61.30 C ATOM 1671 CG GLU A 105 20.428 -27.397 -3.737 1.00 32.30 C ATOM 1672 CD GLU A 105 20.395 -28.778 -4.362 1.00 53.43 C ATOM 1673 OE1 GLU A 105 21.038 -29.695 -3.811 1.00 3.21 O1- ATOM 1674 OE2 GLU A 105 19.725 -28.941 -5.404 1.00 63.32 O ATOM 0 H GLU A 105 21.484 -24.441 -4.490 1.00 23.21 H new ATOM 0 HA GLU A 105 21.277 -25.709 -1.977 1.00 24.23 H new ATOM 0 HB2 GLU A 105 22.036 -26.445 -4.778 1.00 61.30 H new ATOM 0 HB3 GLU A 105 22.550 -27.539 -3.509 1.00 61.30 H new ATOM 0 HG2 GLU A 105 20.082 -27.461 -2.705 1.00 32.30 H new ATOM 0 HG3 GLU A 105 19.732 -26.746 -4.267 1.00 32.30 H new