USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot -103:sc= 1.03 USER MOD Set 1.2: A 90 GLN : amide:sc= 0.909 X(o=1.9,f=2.2) USER MOD Set 2.1: A 67 SER OG : rot -53:sc= 0.0745 USER MOD Set 2.2: A 70 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 29 TYR OH : rot 165:sc= 0.949 USER MOD Set 3.2: A 97 THR OG1 : rot 52:sc= 0.409 USER MOD Single : A 9 SER OG : rot 180:sc= -0.057 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= 0.00441 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -4.22! C(o=-4.2!,f=-9.5!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.134 USER MOD Single : A 47 ASN : amide:sc= -1.1 X(o=-1.1,f=-1.5) USER MOD Single : A 53 THR OG1 : rot -47:sc= 1.52 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -96:sc= 0.532 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.9) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 69 GLN : amide:sc= -0.0151 X(o=-0.015,f=-0.18) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 62:sc= 0.496 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.527 USER MOD Single : A 80 ASN : amide:sc= -3.48! C(o=-3.5!,f=-3.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -150:sc= -0.95 USER MOD Single : A 89 HIS : +bothHN:sc= -1.01! C(o=-1!,f=-5.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000241) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 9.478 -5.226 -8.691 1.00 54.30 N ATOM 64 CA VAL A 7 10.053 -6.559 -8.543 1.00 25.52 C ATOM 65 C VAL A 7 11.429 -6.637 -9.195 1.00 12.13 C ATOM 66 O VAL A 7 12.436 -6.859 -8.520 1.00 74.32 O ATOM 67 CB VAL A 7 9.142 -7.635 -9.161 1.00 3.13 C ATOM 68 CG1 VAL A 7 9.673 -9.026 -8.850 1.00 43.31 C ATOM 69 CG2 VAL A 7 7.714 -7.476 -8.659 1.00 3.12 C ATOM 0 HA VAL A 7 10.149 -6.747 -7.474 1.00 25.52 H new ATOM 0 HB VAL A 7 9.139 -7.507 -10.243 1.00 3.13 H new ATOM 0 HG11 VAL A 7 9.016 -9.774 -9.295 1.00 43.31 H new ATOM 0 HG12 VAL A 7 10.676 -9.133 -9.262 1.00 43.31 H new ATOM 0 HG13 VAL A 7 9.707 -9.169 -7.770 1.00 43.31 H new ATOM 0 HG21 VAL A 7 7.084 -8.245 -9.106 1.00 3.12 H new ATOM 0 HG22 VAL A 7 7.696 -7.578 -7.574 1.00 3.12 H new ATOM 0 HG23 VAL A 7 7.338 -6.491 -8.937 1.00 3.12 H new ATOM 79 N LEU A 8 11.466 -6.455 -10.510 1.00 43.15 N ATOM 80 CA LEU A 8 12.719 -6.506 -11.255 1.00 2.32 C ATOM 81 C LEU A 8 12.986 -5.180 -11.961 1.00 63.35 C ATOM 82 O LEU A 8 12.199 -4.744 -12.801 1.00 22.12 O ATOM 83 CB LEU A 8 12.683 -7.643 -12.276 1.00 62.22 C ATOM 84 CG LEU A 8 12.543 -9.055 -11.705 1.00 31.22 C ATOM 85 CD1 LEU A 8 12.379 -10.070 -12.824 1.00 74.32 C ATOM 86 CD2 LEU A 8 13.746 -9.402 -10.840 1.00 23.33 C ATOM 0 H LEU A 8 10.642 -6.271 -11.083 1.00 43.15 H new ATOM 0 HA LEU A 8 13.527 -6.689 -10.547 1.00 2.32 H new ATOM 0 HB2 LEU A 8 11.852 -7.465 -12.959 1.00 62.22 H new ATOM 0 HB3 LEU A 8 13.597 -7.601 -12.868 1.00 62.22 H new ATOM 0 HG LEU A 8 11.650 -9.086 -11.081 1.00 31.22 H new ATOM 0 HD11 LEU A 8 12.281 -11.069 -12.398 1.00 74.32 H new ATOM 0 HD12 LEU A 8 11.486 -9.833 -13.402 1.00 74.32 H new ATOM 0 HD13 LEU A 8 13.252 -10.038 -13.475 1.00 74.32 H new ATOM 0 HD21 LEU A 8 13.629 -10.410 -10.442 1.00 23.33 H new ATOM 0 HD22 LEU A 8 14.653 -9.352 -11.442 1.00 23.33 H new ATOM 0 HD23 LEU A 8 13.818 -8.693 -10.016 1.00 23.33 H new ATOM 98 N SER A 9 14.103 -4.546 -11.618 1.00 41.24 N ATOM 99 CA SER A 9 14.473 -3.271 -12.218 1.00 65.42 C ATOM 100 C SER A 9 14.858 -3.451 -13.685 1.00 0.35 C ATOM 101 O SER A 9 14.685 -4.527 -14.255 1.00 62.22 O ATOM 102 CB SER A 9 15.634 -2.638 -11.449 1.00 15.44 C ATOM 103 OG SER A 9 16.881 -3.002 -12.017 1.00 23.04 O ATOM 0 H SER A 9 14.767 -4.895 -10.927 1.00 41.24 H new ATOM 0 HA SER A 9 13.608 -2.609 -12.166 1.00 65.42 H new ATOM 0 HB2 SER A 9 15.530 -1.553 -11.456 1.00 15.44 H new ATOM 0 HB3 SER A 9 15.599 -2.955 -10.407 1.00 15.44 H new ATOM 0 HG SER A 9 17.607 -2.583 -11.509 1.00 23.04 H new ATOM 109 N GLY A 10 15.382 -2.389 -14.287 1.00 64.51 N ATOM 110 CA GLY A 10 15.784 -2.448 -15.680 1.00 54.43 C ATOM 111 C GLY A 10 16.747 -3.586 -15.958 1.00 32.05 C ATOM 112 O GLY A 10 16.543 -4.370 -16.882 1.00 12.50 O ATOM 0 H GLY A 10 15.536 -1.488 -13.835 1.00 64.51 H new ATOM 0 HA2 GLY A 10 14.899 -2.564 -16.306 1.00 54.43 H new ATOM 0 HA3 GLY A 10 16.251 -1.504 -15.960 1.00 54.43 H new ATOM 116 N GLY A 11 17.803 -3.674 -15.153 1.00 62.43 N ATOM 117 CA GLY A 11 18.787 -4.725 -15.335 1.00 12.01 C ATOM 118 C GLY A 11 18.226 -6.101 -15.039 1.00 13.20 C ATOM 119 O GLY A 11 18.428 -7.040 -15.809 1.00 22.14 O ATOM 0 H GLY A 11 17.994 -3.037 -14.380 1.00 62.43 H new ATOM 0 HA2 GLY A 11 19.156 -4.699 -16.360 1.00 12.01 H new ATOM 0 HA3 GLY A 11 19.641 -4.536 -14.684 1.00 12.01 H new ATOM 123 N GLU A 12 17.522 -6.223 -13.917 1.00 64.52 N ATOM 124 CA GLU A 12 16.932 -7.496 -13.521 1.00 75.30 C ATOM 125 C GLU A 12 15.922 -7.975 -14.559 1.00 53.53 C ATOM 126 O GLU A 12 15.726 -9.177 -14.745 1.00 34.34 O ATOM 127 CB GLU A 12 16.255 -7.366 -12.155 1.00 51.44 C ATOM 128 CG GLU A 12 17.114 -6.672 -11.112 1.00 73.25 C ATOM 129 CD GLU A 12 16.489 -6.697 -9.731 1.00 31.23 C ATOM 130 OE1 GLU A 12 15.684 -5.792 -9.428 1.00 22.34 O ATOM 131 OE2 GLU A 12 16.805 -7.620 -8.953 1.00 74.03 O1- ATOM 0 H GLU A 12 17.347 -5.456 -13.267 1.00 64.52 H new ATOM 0 HA GLU A 12 17.732 -8.233 -13.453 1.00 75.30 H new ATOM 0 HB2 GLU A 12 15.323 -6.813 -12.272 1.00 51.44 H new ATOM 0 HB3 GLU A 12 15.992 -8.360 -11.793 1.00 51.44 H new ATOM 0 HG2 GLU A 12 18.091 -7.153 -11.073 1.00 73.25 H new ATOM 0 HG3 GLU A 12 17.280 -5.638 -11.413 1.00 73.25 H new ATOM 138 N LEU A 13 15.281 -7.026 -15.233 1.00 53.15 N ATOM 139 CA LEU A 13 14.289 -7.351 -16.253 1.00 3.11 C ATOM 140 C LEU A 13 14.933 -8.083 -17.425 1.00 72.41 C ATOM 141 O LEU A 13 14.513 -9.181 -17.791 1.00 51.32 O ATOM 142 CB LEU A 13 13.604 -6.076 -16.749 1.00 0.22 C ATOM 143 CG LEU A 13 12.316 -6.274 -17.550 1.00 0.44 C ATOM 144 CD1 LEU A 13 11.288 -7.033 -16.726 1.00 42.33 C ATOM 145 CD2 LEU A 13 11.757 -4.932 -18.000 1.00 41.53 C ATOM 0 H LEU A 13 15.430 -6.027 -15.092 1.00 53.15 H new ATOM 0 HA LEU A 13 13.543 -8.007 -15.804 1.00 3.11 H new ATOM 0 HB2 LEU A 13 13.379 -5.449 -15.886 1.00 0.22 H new ATOM 0 HB3 LEU A 13 14.312 -5.524 -17.368 1.00 0.22 H new ATOM 0 HG LEU A 13 12.548 -6.864 -18.437 1.00 0.44 H new ATOM 0 HD11 LEU A 13 10.378 -7.165 -17.311 1.00 42.33 H new ATOM 0 HD12 LEU A 13 11.689 -8.009 -16.454 1.00 42.33 H new ATOM 0 HD13 LEU A 13 11.059 -6.470 -15.821 1.00 42.33 H new ATOM 0 HD21 LEU A 13 10.841 -5.092 -18.568 1.00 41.53 H new ATOM 0 HD22 LEU A 13 11.540 -4.317 -17.127 1.00 41.53 H new ATOM 0 HD23 LEU A 13 12.490 -4.425 -18.628 1.00 41.53 H new ATOM 157 N ASP A 14 15.957 -7.470 -18.010 1.00 44.33 N ATOM 158 CA ASP A 14 16.661 -8.066 -19.139 1.00 35.34 C ATOM 159 C ASP A 14 17.100 -9.491 -18.815 1.00 20.22 C ATOM 160 O ASP A 14 16.836 -10.421 -19.576 1.00 61.20 O ATOM 161 CB ASP A 14 17.877 -7.217 -19.514 1.00 62.10 C ATOM 162 CG ASP A 14 18.504 -7.650 -20.824 1.00 72.31 C ATOM 163 OD1 ASP A 14 19.349 -8.569 -20.802 1.00 14.21 O1- ATOM 164 OD2 ASP A 14 18.150 -7.070 -21.873 1.00 11.54 O ATOM 0 H ASP A 14 16.318 -6.561 -17.721 1.00 44.33 H new ATOM 0 HA ASP A 14 15.976 -8.100 -19.986 1.00 35.34 H new ATOM 0 HB2 ASP A 14 17.578 -6.171 -19.586 1.00 62.10 H new ATOM 0 HB3 ASP A 14 18.621 -7.282 -18.720 1.00 62.10 H new ATOM 169 N LYS A 15 17.773 -9.653 -17.681 1.00 30.13 N ATOM 170 CA LYS A 15 18.250 -10.964 -17.255 1.00 25.41 C ATOM 171 C LYS A 15 17.083 -11.918 -17.024 1.00 74.04 C ATOM 172 O LYS A 15 17.155 -13.097 -17.371 1.00 70.43 O ATOM 173 CB LYS A 15 19.079 -10.837 -15.976 1.00 31.52 C ATOM 174 CG LYS A 15 20.322 -9.976 -16.139 1.00 52.54 C ATOM 175 CD LYS A 15 21.546 -10.646 -15.538 1.00 62.32 C ATOM 176 CE LYS A 15 22.833 -10.066 -16.106 1.00 2.42 C ATOM 177 NZ LYS A 15 23.683 -9.458 -15.044 1.00 44.55 N1+ ATOM 0 H LYS A 15 18.001 -8.893 -17.040 1.00 30.13 H new ATOM 0 HA LYS A 15 18.878 -11.370 -18.048 1.00 25.41 H new ATOM 0 HB2 LYS A 15 18.455 -10.414 -15.189 1.00 31.52 H new ATOM 0 HB3 LYS A 15 19.377 -11.832 -15.646 1.00 31.52 H new ATOM 0 HG2 LYS A 15 20.495 -9.782 -17.197 1.00 52.54 H new ATOM 0 HG3 LYS A 15 20.162 -9.010 -15.660 1.00 52.54 H new ATOM 0 HD2 LYS A 15 21.536 -10.521 -14.455 1.00 62.32 H new ATOM 0 HD3 LYS A 15 21.510 -11.717 -15.736 1.00 62.32 H new ATOM 0 HE2 LYS A 15 23.393 -10.852 -16.614 1.00 2.42 H new ATOM 0 HE3 LYS A 15 22.592 -9.311 -16.855 1.00 2.42 H new ATOM 0 HZ1 LYS A 15 24.648 -9.321 -15.408 1.00 44.55 H new ATOM 0 HZ2 LYS A 15 23.285 -8.539 -14.764 1.00 44.55 H new ATOM 0 HZ3 LYS A 15 23.711 -10.089 -14.218 1.00 44.55 H new ATOM 191 N TRP A 16 16.009 -11.401 -16.437 1.00 12.21 N ATOM 192 CA TRP A 16 14.827 -12.208 -16.161 1.00 43.14 C ATOM 193 C TRP A 16 14.297 -12.852 -17.437 1.00 62.35 C ATOM 194 O TRP A 16 14.154 -14.071 -17.515 1.00 60.21 O ATOM 195 CB TRP A 16 13.737 -11.350 -15.518 1.00 5.34 C ATOM 196 CG TRP A 16 12.446 -12.083 -15.312 1.00 3.13 C ATOM 197 CD1 TRP A 16 11.333 -12.023 -16.102 1.00 35.15 C ATOM 198 CD2 TRP A 16 12.134 -12.985 -14.245 1.00 41.03 C ATOM 199 NE1 TRP A 16 10.349 -12.834 -15.591 1.00 25.34 N ATOM 200 CE2 TRP A 16 10.816 -13.436 -14.452 1.00 2.12 C ATOM 201 CE3 TRP A 16 12.841 -13.458 -13.136 1.00 13.12 C ATOM 202 CZ2 TRP A 16 10.192 -14.335 -13.591 1.00 4.35 C ATOM 203 CZ3 TRP A 16 12.220 -14.350 -12.282 1.00 13.12 C ATOM 204 CH2 TRP A 16 10.907 -14.780 -12.513 1.00 74.12 C ATOM 0 H TRP A 16 15.933 -10.427 -16.143 1.00 12.21 H new ATOM 0 HA TRP A 16 15.112 -13.000 -15.468 1.00 43.14 H new ATOM 0 HB2 TRP A 16 14.095 -10.982 -14.556 1.00 5.34 H new ATOM 0 HB3 TRP A 16 13.555 -10.477 -16.145 1.00 5.34 H new ATOM 0 HD1 TRP A 16 11.240 -11.426 -16.997 1.00 35.15 H new ATOM 0 HE1 TRP A 16 9.421 -12.967 -15.994 1.00 25.34 H new ATOM 0 HE3 TRP A 16 13.854 -13.133 -12.950 1.00 13.12 H new ATOM 0 HZ2 TRP A 16 9.180 -14.669 -13.768 1.00 4.35 H new ATOM 0 HZ3 TRP A 16 12.756 -14.722 -11.422 1.00 13.12 H new ATOM 0 HH2 TRP A 16 10.450 -15.477 -11.826 1.00 74.12 H new ATOM 215 N GLU A 17 14.006 -12.023 -18.437 1.00 13.12 N ATOM 216 CA GLU A 17 13.492 -12.514 -19.710 1.00 44.41 C ATOM 217 C GLU A 17 14.451 -13.524 -20.332 1.00 14.52 C ATOM 218 O GLU A 17 14.043 -14.390 -21.106 1.00 34.14 O ATOM 219 CB GLU A 17 13.262 -11.350 -20.675 1.00 63.30 C ATOM 220 CG GLU A 17 12.057 -10.494 -20.322 1.00 12.23 C ATOM 221 CD GLU A 17 11.647 -9.569 -21.452 1.00 54.53 C ATOM 222 OE1 GLU A 17 11.265 -10.079 -22.526 1.00 71.23 O ATOM 223 OE2 GLU A 17 11.707 -8.337 -21.262 1.00 20.34 O1- ATOM 0 H GLU A 17 14.118 -11.010 -18.389 1.00 13.12 H new ATOM 0 HA GLU A 17 12.541 -13.013 -19.520 1.00 44.41 H new ATOM 0 HB2 GLU A 17 14.152 -10.721 -20.690 1.00 63.30 H new ATOM 0 HB3 GLU A 17 13.134 -11.745 -21.683 1.00 63.30 H new ATOM 0 HG2 GLU A 17 11.219 -11.142 -20.065 1.00 12.23 H new ATOM 0 HG3 GLU A 17 12.284 -9.901 -19.436 1.00 12.23 H new ATOM 230 N LYS A 18 15.729 -13.406 -19.988 1.00 34.22 N ATOM 231 CA LYS A 18 16.749 -14.307 -20.511 1.00 63.01 C ATOM 232 C LYS A 18 16.665 -15.674 -19.838 1.00 23.23 C ATOM 233 O LYS A 18 16.606 -16.704 -20.509 1.00 42.31 O ATOM 234 CB LYS A 18 18.142 -13.709 -20.304 1.00 72.43 C ATOM 235 CG LYS A 18 18.753 -13.137 -21.571 1.00 73.33 C ATOM 236 CD LYS A 18 20.270 -13.209 -21.541 1.00 34.05 C ATOM 237 CE LYS A 18 20.857 -12.187 -20.579 1.00 32.03 C ATOM 238 NZ LYS A 18 22.242 -12.547 -20.165 1.00 22.44 N1+ ATOM 0 H LYS A 18 16.083 -12.695 -19.349 1.00 34.22 H new ATOM 0 HA LYS A 18 16.571 -14.436 -21.579 1.00 63.01 H new ATOM 0 HB2 LYS A 18 18.082 -12.922 -19.552 1.00 72.43 H new ATOM 0 HB3 LYS A 18 18.804 -14.479 -19.907 1.00 72.43 H new ATOM 0 HG2 LYS A 18 18.379 -13.685 -22.436 1.00 73.33 H new ATOM 0 HG3 LYS A 18 18.440 -12.100 -21.691 1.00 73.33 H new ATOM 0 HD2 LYS A 18 20.582 -14.210 -21.245 1.00 34.05 H new ATOM 0 HD3 LYS A 18 20.664 -13.036 -22.543 1.00 34.05 H new ATOM 0 HE2 LYS A 18 20.863 -11.205 -21.052 1.00 32.03 H new ATOM 0 HE3 LYS A 18 20.222 -12.112 -19.696 1.00 32.03 H new ATOM 0 HZ1 LYS A 18 22.607 -11.826 -19.510 1.00 22.44 H new ATOM 0 HZ2 LYS A 18 22.233 -13.473 -19.691 1.00 22.44 H new ATOM 0 HZ3 LYS A 18 22.854 -12.593 -21.004 1.00 22.44 H new ATOM 252 N ILE A 19 16.659 -15.673 -18.509 1.00 60.01 N ATOM 253 CA ILE A 19 16.579 -16.912 -17.745 1.00 60.55 C ATOM 254 C ILE A 19 15.410 -17.772 -18.213 1.00 42.03 C ATOM 255 O ILE A 19 14.341 -17.258 -18.543 1.00 61.01 O ATOM 256 CB ILE A 19 16.427 -16.636 -16.238 1.00 52.05 C ATOM 257 CG1 ILE A 19 17.606 -15.803 -15.729 1.00 43.50 C ATOM 258 CG2 ILE A 19 16.325 -17.944 -15.468 1.00 61.30 C ATOM 259 CD1 ILE A 19 17.193 -14.659 -14.829 1.00 62.13 C ATOM 0 H ILE A 19 16.709 -14.828 -17.939 1.00 60.01 H new ATOM 0 HA ILE A 19 17.513 -17.448 -17.915 1.00 60.55 H new ATOM 0 HB ILE A 19 15.510 -16.070 -16.078 1.00 52.05 H new ATOM 0 HG12 ILE A 19 18.292 -16.453 -15.186 1.00 43.50 H new ATOM 0 HG13 ILE A 19 18.154 -15.404 -16.583 1.00 43.50 H new ATOM 0 HG21 ILE A 19 16.218 -17.733 -14.404 1.00 61.30 H new ATOM 0 HG22 ILE A 19 15.457 -18.504 -15.816 1.00 61.30 H new ATOM 0 HG23 ILE A 19 17.227 -18.534 -15.632 1.00 61.30 H new ATOM 0 HD11 ILE A 19 18.079 -14.112 -14.506 1.00 62.13 H new ATOM 0 HD12 ILE A 19 16.531 -13.987 -15.375 1.00 62.13 H new ATOM 0 HD13 ILE A 19 16.671 -15.052 -13.957 1.00 62.13 H new ATOM 271 N ARG A 20 15.620 -19.084 -18.239 1.00 4.25 N ATOM 272 CA ARG A 20 14.583 -20.016 -18.666 1.00 22.12 C ATOM 273 C ARG A 20 13.989 -20.754 -17.470 1.00 3.24 C ATOM 274 O ARG A 20 14.627 -20.875 -16.422 1.00 45.24 O ATOM 275 CB ARG A 20 15.153 -21.022 -19.667 1.00 63.22 C ATOM 276 CG ARG A 20 15.788 -20.374 -20.887 1.00 65.14 C ATOM 277 CD ARG A 20 16.085 -21.399 -21.970 1.00 34.41 C ATOM 278 NE ARG A 20 16.801 -20.809 -23.100 1.00 12.42 N ATOM 279 CZ ARG A 20 17.392 -21.525 -24.049 1.00 75.24 C ATOM 280 NH1 ARG A 20 17.354 -22.850 -24.006 1.00 42.11 N1+ ATOM 281 NH2 ARG A 20 18.024 -20.917 -25.044 1.00 22.33 N ATOM 0 H ARG A 20 16.499 -19.526 -17.969 1.00 4.25 H new ATOM 0 HA ARG A 20 13.791 -19.443 -19.148 1.00 22.12 H new ATOM 0 HB2 ARG A 20 15.898 -21.639 -19.165 1.00 63.22 H new ATOM 0 HB3 ARG A 20 14.355 -21.688 -19.994 1.00 63.22 H new ATOM 0 HG2 ARG A 20 15.121 -19.608 -21.282 1.00 65.14 H new ATOM 0 HG3 ARG A 20 16.711 -19.873 -20.595 1.00 65.14 H new ATOM 0 HD2 ARG A 20 16.678 -22.210 -21.548 1.00 34.41 H new ATOM 0 HD3 ARG A 20 15.151 -21.837 -22.321 1.00 34.41 H new ATOM 0 HE ARG A 20 16.849 -19.792 -23.163 1.00 12.42 H new ATOM 0 HH11 ARG A 20 16.870 -23.322 -23.242 1.00 42.11 H new ATOM 0 HH12 ARG A 20 17.809 -23.397 -24.737 1.00 42.11 H new ATOM 0 HH21 ARG A 20 18.056 -19.898 -25.081 1.00 22.33 H new ATOM 0 HH22 ARG A 20 18.478 -21.468 -25.772 1.00 22.33 H new ATOM 295 N LEU A 21 12.765 -21.244 -17.631 1.00 71.14 N ATOM 296 CA LEU A 21 12.084 -21.970 -16.565 1.00 61.44 C ATOM 297 C LEU A 21 12.697 -23.353 -16.370 1.00 0.01 C ATOM 298 O LEU A 21 12.684 -23.899 -15.267 1.00 63.22 O ATOM 299 CB LEU A 21 10.593 -22.100 -16.881 1.00 21.42 C ATOM 300 CG LEU A 21 9.875 -20.808 -17.275 1.00 34.12 C ATOM 301 CD1 LEU A 21 8.920 -21.059 -18.431 1.00 1.11 C ATOM 302 CD2 LEU A 21 9.130 -20.228 -16.082 1.00 1.24 C ATOM 0 H LEU A 21 12.223 -21.152 -18.490 1.00 71.14 H new ATOM 0 HA LEU A 21 12.205 -21.406 -15.640 1.00 61.44 H new ATOM 0 HB2 LEU A 21 10.475 -22.819 -17.692 1.00 21.42 H new ATOM 0 HB3 LEU A 21 10.092 -22.519 -16.008 1.00 21.42 H new ATOM 0 HG LEU A 21 10.622 -20.084 -17.599 1.00 34.12 H new ATOM 0 HD11 LEU A 21 8.418 -20.129 -18.697 1.00 1.11 H new ATOM 0 HD12 LEU A 21 9.479 -21.429 -19.291 1.00 1.11 H new ATOM 0 HD13 LEU A 21 8.177 -21.800 -18.135 1.00 1.11 H new ATOM 0 HD21 LEU A 21 8.625 -19.309 -16.380 1.00 1.24 H new ATOM 0 HD22 LEU A 21 8.393 -20.949 -15.728 1.00 1.24 H new ATOM 0 HD23 LEU A 21 9.838 -20.010 -15.282 1.00 1.24 H new ATOM 314 N ARG A 22 13.235 -23.913 -17.449 1.00 71.22 N ATOM 315 CA ARG A 22 13.854 -25.232 -17.396 1.00 52.54 C ATOM 316 C ARG A 22 15.113 -25.276 -18.256 1.00 51.01 C ATOM 317 O ARG A 22 15.272 -24.511 -19.208 1.00 53.13 O ATOM 318 CB ARG A 22 12.865 -26.302 -17.865 1.00 71.30 C ATOM 319 CG ARG A 22 12.170 -25.957 -19.172 1.00 62.24 C ATOM 320 CD ARG A 22 10.677 -25.752 -18.972 1.00 30.34 C ATOM 321 NE ARG A 22 9.937 -27.009 -19.030 1.00 75.42 N ATOM 322 CZ ARG A 22 8.615 -27.082 -19.128 1.00 24.25 C ATOM 323 NH1 ARG A 22 7.890 -25.972 -19.179 1.00 2.52 N1+ ATOM 324 NH2 ARG A 22 8.015 -28.263 -19.176 1.00 41.15 N ATOM 0 H ARG A 22 13.255 -23.474 -18.370 1.00 71.22 H new ATOM 0 HA ARG A 22 14.134 -25.434 -16.362 1.00 52.54 H new ATOM 0 HB2 ARG A 22 13.394 -27.247 -17.983 1.00 71.30 H new ATOM 0 HB3 ARG A 22 12.112 -26.453 -17.092 1.00 71.30 H new ATOM 0 HG2 ARG A 22 12.610 -25.052 -19.591 1.00 62.24 H new ATOM 0 HG3 ARG A 22 12.335 -26.756 -19.895 1.00 62.24 H new ATOM 0 HD2 ARG A 22 10.503 -25.274 -18.008 1.00 30.34 H new ATOM 0 HD3 ARG A 22 10.299 -25.074 -19.737 1.00 30.34 H new ATOM 0 HE ARG A 22 10.466 -27.881 -18.993 1.00 75.42 H new ATOM 0 HH11 ARG A 22 8.348 -25.061 -19.143 1.00 2.52 H new ATOM 0 HH12 ARG A 22 6.874 -26.029 -19.254 1.00 2.52 H new ATOM 0 HH21 ARG A 22 8.569 -29.118 -19.138 1.00 41.15 H new ATOM 0 HH22 ARG A 22 6.999 -28.316 -19.251 1.00 41.15 H new ATOM 338 N PRO A 23 16.031 -26.193 -17.914 1.00 72.31 N ATOM 339 CA PRO A 23 17.293 -26.359 -18.642 1.00 3.01 C ATOM 340 C PRO A 23 17.086 -26.942 -20.035 1.00 74.03 C ATOM 341 O PRO A 23 17.783 -26.579 -20.982 1.00 12.43 O ATOM 342 CB PRO A 23 18.083 -27.334 -17.765 1.00 42.35 C ATOM 343 CG PRO A 23 17.044 -28.097 -17.018 1.00 30.04 C ATOM 344 CD PRO A 23 15.908 -27.138 -16.792 1.00 2.43 C ATOM 0 HA PRO A 23 17.798 -25.407 -18.805 1.00 3.01 H new ATOM 0 HB2 PRO A 23 18.703 -27.996 -18.369 1.00 42.35 H new ATOM 0 HB3 PRO A 23 18.750 -26.804 -17.085 1.00 42.35 H new ATOM 0 HG2 PRO A 23 16.714 -28.966 -17.587 1.00 30.04 H new ATOM 0 HG3 PRO A 23 17.437 -28.467 -16.071 1.00 30.04 H new ATOM 0 HD2 PRO A 23 14.944 -27.648 -16.800 1.00 2.43 H new ATOM 0 HD3 PRO A 23 15.994 -26.633 -15.830 1.00 2.43 H new ATOM 352 N GLY A 24 16.122 -27.851 -20.154 1.00 65.32 N ATOM 353 CA GLY A 24 15.840 -28.470 -21.437 1.00 15.45 C ATOM 354 C GLY A 24 14.488 -28.066 -21.991 1.00 72.32 C ATOM 355 O GLY A 24 13.639 -28.916 -22.254 1.00 43.25 O ATOM 0 H GLY A 24 15.532 -28.170 -19.385 1.00 65.32 H new ATOM 0 HA2 GLY A 24 16.618 -28.194 -22.149 1.00 15.45 H new ATOM 0 HA3 GLY A 24 15.876 -29.554 -21.330 1.00 15.45 H new ATOM 359 N GLY A 25 14.287 -26.764 -22.168 1.00 34.34 N ATOM 360 CA GLY A 25 13.028 -26.272 -22.692 1.00 5.22 C ATOM 361 C GLY A 25 13.215 -25.321 -23.857 1.00 53.25 C ATOM 362 O GLY A 25 14.334 -25.119 -24.329 1.00 62.40 O ATOM 0 H GLY A 25 14.975 -26.041 -21.957 1.00 34.34 H new ATOM 0 HA2 GLY A 25 12.417 -27.116 -23.011 1.00 5.22 H new ATOM 0 HA3 GLY A 25 12.481 -25.765 -21.897 1.00 5.22 H new ATOM 366 N LYS A 26 12.117 -24.737 -24.325 1.00 73.53 N ATOM 367 CA LYS A 26 12.165 -23.803 -25.443 1.00 72.31 C ATOM 368 C LYS A 26 11.406 -22.521 -25.114 1.00 65.24 C ATOM 369 O LYS A 26 10.915 -21.830 -26.009 1.00 55.52 O ATOM 370 CB LYS A 26 11.576 -24.449 -26.700 1.00 62.40 C ATOM 371 CG LYS A 26 12.315 -24.083 -27.975 1.00 63.14 C ATOM 372 CD LYS A 26 11.521 -24.472 -29.211 1.00 50.24 C ATOM 373 CE LYS A 26 12.432 -24.943 -30.335 1.00 11.15 C ATOM 374 NZ LYS A 26 12.636 -23.886 -31.363 1.00 41.32 N1+ ATOM 0 H LYS A 26 11.183 -24.894 -23.947 1.00 73.53 H new ATOM 0 HA LYS A 26 13.209 -23.549 -25.627 1.00 72.31 H new ATOM 0 HB2 LYS A 26 11.588 -25.532 -26.581 1.00 62.40 H new ATOM 0 HB3 LYS A 26 10.532 -24.151 -26.797 1.00 62.40 H new ATOM 0 HG2 LYS A 26 12.509 -23.011 -27.989 1.00 63.14 H new ATOM 0 HG3 LYS A 26 13.284 -24.583 -27.991 1.00 63.14 H new ATOM 0 HD2 LYS A 26 10.816 -25.263 -28.957 1.00 50.24 H new ATOM 0 HD3 LYS A 26 10.934 -23.619 -29.551 1.00 50.24 H new ATOM 0 HE2 LYS A 26 13.396 -25.238 -29.921 1.00 11.15 H new ATOM 0 HE3 LYS A 26 12.002 -25.828 -30.804 1.00 11.15 H new ATOM 0 HZ1 LYS A 26 13.262 -24.246 -32.111 1.00 41.32 H new ATOM 0 HZ2 LYS A 26 11.719 -23.622 -31.776 1.00 41.32 H new ATOM 0 HZ3 LYS A 26 13.070 -23.051 -30.921 1.00 41.32 H new ATOM 388 N LYS A 27 11.314 -22.207 -23.827 1.00 40.32 N ATOM 389 CA LYS A 27 10.617 -21.008 -23.379 1.00 11.24 C ATOM 390 C LYS A 27 11.384 -20.322 -22.252 1.00 52.41 C ATOM 391 O LYS A 27 11.879 -20.980 -21.338 1.00 34.10 O ATOM 392 CB LYS A 27 9.204 -21.359 -22.908 1.00 60.44 C ATOM 393 CG LYS A 27 8.160 -21.282 -24.010 1.00 12.05 C ATOM 394 CD LYS A 27 6.994 -20.393 -23.610 1.00 61.14 C ATOM 395 CE LYS A 27 7.375 -18.921 -23.652 1.00 60.04 C ATOM 396 NZ LYS A 27 6.248 -18.071 -24.128 1.00 2.04 N1+ ATOM 0 H LYS A 27 11.714 -22.767 -23.074 1.00 40.32 H new ATOM 0 HA LYS A 27 10.551 -20.320 -24.222 1.00 11.24 H new ATOM 0 HB2 LYS A 27 9.208 -22.367 -22.492 1.00 60.44 H new ATOM 0 HB3 LYS A 27 8.920 -20.683 -22.102 1.00 60.44 H new ATOM 0 HG2 LYS A 27 8.618 -20.896 -24.921 1.00 12.05 H new ATOM 0 HG3 LYS A 27 7.794 -22.283 -24.237 1.00 12.05 H new ATOM 0 HD2 LYS A 27 6.153 -20.571 -24.280 1.00 61.14 H new ATOM 0 HD3 LYS A 27 6.663 -20.656 -22.605 1.00 61.14 H new ATOM 0 HE2 LYS A 27 7.680 -18.596 -22.657 1.00 60.04 H new ATOM 0 HE3 LYS A 27 8.234 -18.787 -24.309 1.00 60.04 H new ATOM 0 HZ1 LYS A 27 6.547 -17.075 -24.143 1.00 2.04 H new ATOM 0 HZ2 LYS A 27 5.973 -18.364 -25.087 1.00 2.04 H new ATOM 0 HZ3 LYS A 27 5.436 -18.180 -23.487 1.00 2.04 H new ATOM 410 N GLN A 28 11.475 -18.998 -22.325 1.00 53.54 N ATOM 411 CA GLN A 28 12.181 -18.225 -21.309 1.00 43.23 C ATOM 412 C GLN A 28 11.214 -17.713 -20.247 1.00 23.11 C ATOM 413 O GLN A 28 10.029 -18.046 -20.258 1.00 21.52 O ATOM 414 CB GLN A 28 12.918 -17.051 -21.954 1.00 31.24 C ATOM 415 CG GLN A 28 13.682 -17.429 -23.213 1.00 21.20 C ATOM 416 CD GLN A 28 14.381 -16.243 -23.849 1.00 73.45 C ATOM 417 OE1 GLN A 28 15.604 -16.118 -23.779 1.00 0.35 O ATOM 418 NE2 GLN A 28 13.607 -15.366 -24.477 1.00 43.04 N ATOM 0 H GLN A 28 11.070 -18.439 -23.076 1.00 53.54 H new ATOM 0 HA GLN A 28 12.907 -18.880 -20.827 1.00 43.23 H new ATOM 0 HB2 GLN A 28 12.197 -16.270 -22.197 1.00 31.24 H new ATOM 0 HB3 GLN A 28 13.614 -16.628 -21.230 1.00 31.24 H new ATOM 0 HG2 GLN A 28 14.420 -18.193 -22.970 1.00 21.20 H new ATOM 0 HG3 GLN A 28 12.993 -17.869 -23.934 1.00 21.20 H new ATOM 0 HE21 GLN A 28 12.598 -15.509 -24.511 1.00 43.04 H new ATOM 0 HE22 GLN A 28 14.022 -14.549 -24.926 1.00 43.04 H new ATOM 427 N TYR A 29 11.729 -16.901 -19.330 1.00 4.41 N ATOM 428 CA TYR A 29 10.911 -16.344 -18.258 1.00 31.55 C ATOM 429 C TYR A 29 10.189 -15.083 -18.721 1.00 73.23 C ATOM 430 O TYR A 29 10.682 -14.350 -19.579 1.00 61.03 O ATOM 431 CB TYR A 29 11.779 -16.029 -17.038 1.00 23.03 C ATOM 432 CG TYR A 29 11.724 -17.092 -15.965 1.00 14.34 C ATOM 433 CD1 TYR A 29 10.640 -17.178 -15.100 1.00 23.24 C ATOM 434 CD2 TYR A 29 12.757 -18.009 -15.814 1.00 3.13 C ATOM 435 CE1 TYR A 29 10.585 -18.147 -14.117 1.00 11.40 C ATOM 436 CE2 TYR A 29 12.710 -18.982 -14.834 1.00 72.13 C ATOM 437 CZ TYR A 29 11.623 -19.048 -13.989 1.00 4.34 C ATOM 438 OH TYR A 29 11.572 -20.015 -13.011 1.00 21.45 O ATOM 0 H TYR A 29 12.708 -16.614 -19.307 1.00 4.41 H new ATOM 0 HA TYR A 29 10.163 -17.088 -17.983 1.00 31.55 H new ATOM 0 HB2 TYR A 29 12.813 -15.904 -17.361 1.00 23.03 H new ATOM 0 HB3 TYR A 29 11.460 -15.078 -16.612 1.00 23.03 H new ATOM 0 HD1 TYR A 29 9.826 -16.475 -15.198 1.00 23.24 H new ATOM 0 HD2 TYR A 29 13.611 -17.960 -16.474 1.00 3.13 H new ATOM 0 HE1 TYR A 29 9.735 -18.199 -13.453 1.00 11.40 H new ATOM 0 HE2 TYR A 29 13.521 -19.687 -14.731 1.00 72.13 H new ATOM 0 HH TYR A 29 12.243 -20.705 -13.198 1.00 21.45 H new ATOM 448 N LYS A 30 9.016 -14.836 -18.148 1.00 20.11 N ATOM 449 CA LYS A 30 8.224 -13.663 -18.499 1.00 31.12 C ATOM 450 C LYS A 30 7.408 -13.180 -17.305 1.00 0.11 C ATOM 451 O LYS A 30 7.281 -13.883 -16.301 1.00 14.12 O ATOM 452 CB LYS A 30 7.294 -13.982 -19.672 1.00 15.41 C ATOM 453 CG LYS A 30 7.609 -13.195 -20.931 1.00 21.03 C ATOM 454 CD LYS A 30 6.345 -12.823 -21.686 1.00 65.42 C ATOM 455 CE LYS A 30 6.647 -11.904 -22.860 1.00 74.10 C ATOM 456 NZ LYS A 30 5.471 -11.067 -23.227 1.00 62.02 N1+ ATOM 0 H LYS A 30 8.592 -15.433 -17.438 1.00 20.11 H new ATOM 0 HA LYS A 30 8.909 -12.868 -18.793 1.00 31.12 H new ATOM 0 HB2 LYS A 30 7.357 -15.047 -19.895 1.00 15.41 H new ATOM 0 HB3 LYS A 30 6.265 -13.778 -19.375 1.00 15.41 H new ATOM 0 HG2 LYS A 30 8.157 -12.290 -20.668 1.00 21.03 H new ATOM 0 HG3 LYS A 30 8.259 -13.785 -21.577 1.00 21.03 H new ATOM 0 HD2 LYS A 30 5.856 -13.728 -22.047 1.00 65.42 H new ATOM 0 HD3 LYS A 30 5.646 -12.332 -21.009 1.00 65.42 H new ATOM 0 HE2 LYS A 30 7.488 -11.258 -22.608 1.00 74.10 H new ATOM 0 HE3 LYS A 30 6.950 -12.501 -23.720 1.00 74.10 H new ATOM 0 HZ1 LYS A 30 5.718 -10.455 -24.031 1.00 62.02 H new ATOM 0 HZ2 LYS A 30 4.676 -11.683 -23.492 1.00 62.02 H new ATOM 0 HZ3 LYS A 30 5.197 -10.478 -22.415 1.00 62.02 H new ATOM 470 N LEU A 31 6.853 -11.979 -17.419 1.00 23.31 N ATOM 471 CA LEU A 31 6.047 -11.403 -16.350 1.00 2.44 C ATOM 472 C LEU A 31 4.929 -12.356 -15.937 1.00 63.11 C ATOM 473 O LEU A 31 4.478 -12.342 -14.791 1.00 44.01 O ATOM 474 CB LEU A 31 5.454 -10.065 -16.794 1.00 64.03 C ATOM 475 CG LEU A 31 6.168 -8.812 -16.288 1.00 22.34 C ATOM 476 CD1 LEU A 31 7.436 -8.561 -17.089 1.00 21.43 C ATOM 477 CD2 LEU A 31 5.243 -7.606 -16.357 1.00 25.32 C ATOM 0 H LEU A 31 6.947 -11.385 -18.243 1.00 23.31 H new ATOM 0 HA LEU A 31 6.695 -11.237 -15.489 1.00 2.44 H new ATOM 0 HB2 LEU A 31 5.445 -10.038 -17.884 1.00 64.03 H new ATOM 0 HB3 LEU A 31 4.415 -10.024 -16.466 1.00 64.03 H new ATOM 0 HG LEU A 31 6.446 -8.971 -15.246 1.00 22.34 H new ATOM 0 HD11 LEU A 31 7.931 -7.665 -16.715 1.00 21.43 H new ATOM 0 HD12 LEU A 31 8.106 -9.415 -16.987 1.00 21.43 H new ATOM 0 HD13 LEU A 31 7.181 -8.423 -18.140 1.00 21.43 H new ATOM 0 HD21 LEU A 31 5.768 -6.723 -15.993 1.00 25.32 H new ATOM 0 HD22 LEU A 31 4.933 -7.444 -17.389 1.00 25.32 H new ATOM 0 HD23 LEU A 31 4.364 -7.786 -15.738 1.00 25.32 H new ATOM 489 N LYS A 32 4.488 -13.184 -16.877 1.00 11.32 N ATOM 490 CA LYS A 32 3.426 -14.147 -16.612 1.00 3.12 C ATOM 491 C LYS A 32 3.743 -14.980 -15.375 1.00 5.04 C ATOM 492 O LYS A 32 2.843 -15.375 -14.632 1.00 12.21 O ATOM 493 CB LYS A 32 3.227 -15.064 -17.820 1.00 74.22 C ATOM 494 CG LYS A 32 3.035 -14.315 -19.128 1.00 60.12 C ATOM 495 CD LYS A 32 2.441 -15.211 -20.202 1.00 51.11 C ATOM 496 CE LYS A 32 2.752 -14.691 -21.597 1.00 4.41 C ATOM 497 NZ LYS A 32 3.739 -15.552 -22.304 1.00 54.33 N1+ ATOM 0 H LYS A 32 4.850 -13.208 -17.830 1.00 11.32 H new ATOM 0 HA LYS A 32 2.505 -13.593 -16.429 1.00 3.12 H new ATOM 0 HB2 LYS A 32 4.091 -15.723 -17.912 1.00 74.22 H new ATOM 0 HB3 LYS A 32 2.359 -15.699 -17.644 1.00 74.22 H new ATOM 0 HG2 LYS A 32 2.381 -13.458 -18.965 1.00 60.12 H new ATOM 0 HG3 LYS A 32 3.994 -13.924 -19.468 1.00 60.12 H new ATOM 0 HD2 LYS A 32 2.835 -16.221 -20.093 1.00 51.11 H new ATOM 0 HD3 LYS A 32 1.361 -15.274 -20.068 1.00 51.11 H new ATOM 0 HE2 LYS A 32 1.832 -14.641 -22.179 1.00 4.41 H new ATOM 0 HE3 LYS A 32 3.141 -13.675 -21.527 1.00 4.41 H new ATOM 0 HZ1 LYS A 32 3.924 -15.163 -23.251 1.00 54.33 H new ATOM 0 HZ2 LYS A 32 4.626 -15.580 -21.762 1.00 54.33 H new ATOM 0 HZ3 LYS A 32 3.358 -16.515 -22.394 1.00 54.33 H new ATOM 511 N HIS A 33 5.027 -15.242 -15.157 1.00 13.22 N ATOM 512 CA HIS A 33 5.465 -16.028 -14.007 1.00 45.10 C ATOM 513 C HIS A 33 5.564 -15.153 -12.760 1.00 73.23 C ATOM 514 O HIS A 33 5.316 -15.684 -11.677 1.00 22.44 O ATOM 515 CB HIS A 33 6.816 -16.683 -14.294 1.00 5.33 C ATOM 516 CG HIS A 33 6.883 -17.358 -15.629 1.00 30.33 C ATOM 517 ND1 HIS A 33 7.819 -17.035 -16.589 1.00 62.10 N ATOM 518 CD2 HIS A 33 6.124 -18.344 -16.162 1.00 24.43 C ATOM 519 CE1 HIS A 33 7.632 -17.793 -17.655 1.00 3.21 C ATOM 520 NE2 HIS A 33 6.609 -18.596 -17.421 1.00 73.35 N ATOM 0 H HIS A 33 5.784 -14.922 -15.761 1.00 13.22 H new ATOM 0 HA HIS A 33 4.725 -16.807 -13.826 1.00 45.10 H new ATOM 0 HB2 HIS A 33 7.597 -15.924 -14.240 1.00 5.33 H new ATOM 0 HB3 HIS A 33 7.028 -17.415 -13.515 1.00 5.33 H new ATOM 0 HD2 HIS A 33 5.292 -18.840 -15.685 1.00 24.43 H new ATOM 0 HE1 HIS A 33 8.216 -17.762 -18.563 1.00 3.21 H new ATOM 0 HE2 HIS A 33 6.240 -19.290 -18.071 1.00 73.35 H new ATOM 528 N ILE A 34 5.908 -13.876 -12.879 1.00 23.52 N ATOM 529 CA ILE A 34 6.015 -13.002 -11.716 1.00 74.31 C ATOM 530 C ILE A 34 4.639 -12.675 -11.147 1.00 13.01 C ATOM 531 O ILE A 34 4.465 -12.580 -9.932 1.00 1.50 O ATOM 532 CB ILE A 34 6.740 -11.689 -12.063 1.00 74.15 C ATOM 533 CG1 ILE A 34 8.094 -11.985 -12.711 1.00 33.14 C ATOM 534 CG2 ILE A 34 6.918 -10.836 -10.816 1.00 53.33 C ATOM 535 CD1 ILE A 34 8.776 -10.757 -13.274 1.00 34.31 C ATOM 0 H ILE A 34 6.118 -13.423 -13.768 1.00 23.52 H new ATOM 0 HA ILE A 34 6.597 -13.541 -10.968 1.00 74.31 H new ATOM 0 HB ILE A 34 6.131 -11.132 -12.775 1.00 74.15 H new ATOM 0 HG12 ILE A 34 8.748 -12.447 -11.972 1.00 33.14 H new ATOM 0 HG13 ILE A 34 7.954 -12.712 -13.511 1.00 33.14 H new ATOM 0 HG21 ILE A 34 7.432 -9.911 -11.078 1.00 53.33 H new ATOM 0 HG22 ILE A 34 5.941 -10.601 -10.394 1.00 53.33 H new ATOM 0 HG23 ILE A 34 7.509 -11.384 -10.082 1.00 53.33 H new ATOM 0 HD11 ILE A 34 9.730 -11.042 -13.717 1.00 34.31 H new ATOM 0 HD12 ILE A 34 8.141 -10.306 -14.037 1.00 34.31 H new ATOM 0 HD13 ILE A 34 8.948 -10.037 -12.474 1.00 34.31 H new ATOM 547 N VAL A 35 3.663 -12.504 -12.033 1.00 42.31 N ATOM 548 CA VAL A 35 2.301 -12.190 -11.618 1.00 54.21 C ATOM 549 C VAL A 35 1.593 -13.426 -11.073 1.00 12.25 C ATOM 550 O VAL A 35 0.885 -13.355 -10.068 1.00 34.51 O ATOM 551 CB VAL A 35 1.478 -11.615 -12.786 1.00 61.13 C ATOM 552 CG1 VAL A 35 0.052 -11.323 -12.342 1.00 41.11 C ATOM 553 CG2 VAL A 35 2.140 -10.362 -13.339 1.00 33.13 C ATOM 0 H VAL A 35 3.790 -12.578 -13.042 1.00 42.31 H new ATOM 0 HA VAL A 35 2.375 -11.440 -10.830 1.00 54.21 H new ATOM 0 HB VAL A 35 1.440 -12.359 -13.582 1.00 61.13 H new ATOM 0 HG11 VAL A 35 -0.514 -10.917 -13.180 1.00 41.11 H new ATOM 0 HG12 VAL A 35 -0.418 -12.245 -11.999 1.00 41.11 H new ATOM 0 HG13 VAL A 35 0.066 -10.598 -11.529 1.00 41.11 H new ATOM 0 HG21 VAL A 35 1.545 -9.970 -14.163 1.00 33.13 H new ATOM 0 HG22 VAL A 35 2.211 -9.611 -12.553 1.00 33.13 H new ATOM 0 HG23 VAL A 35 3.140 -10.607 -13.698 1.00 33.13 H new ATOM 563 N TRP A 36 1.792 -14.557 -11.740 1.00 5.25 N ATOM 564 CA TRP A 36 1.173 -15.809 -11.321 1.00 14.30 C ATOM 565 C TRP A 36 1.585 -16.171 -9.898 1.00 5.30 C ATOM 566 O TRP A 36 0.737 -16.364 -9.028 1.00 13.23 O ATOM 567 CB TRP A 36 1.558 -16.938 -12.279 1.00 72.32 C ATOM 568 CG TRP A 36 1.020 -18.275 -11.868 1.00 32.54 C ATOM 569 CD1 TRP A 36 -0.251 -18.738 -12.050 1.00 70.24 C ATOM 570 CD2 TRP A 36 1.740 -19.321 -11.205 1.00 45.44 C ATOM 571 NE1 TRP A 36 -0.367 -20.008 -11.540 1.00 51.23 N ATOM 572 CE2 TRP A 36 0.840 -20.389 -11.017 1.00 75.11 C ATOM 573 CE3 TRP A 36 3.054 -19.460 -10.755 1.00 14.55 C ATOM 574 CZ2 TRP A 36 1.217 -21.577 -10.396 1.00 62.25 C ATOM 575 CZ3 TRP A 36 3.426 -20.639 -10.138 1.00 54.35 C ATOM 576 CH2 TRP A 36 2.511 -21.686 -9.965 1.00 1.20 C ATOM 0 H TRP A 36 2.377 -14.633 -12.572 1.00 5.25 H new ATOM 0 HA TRP A 36 0.091 -15.676 -11.343 1.00 14.30 H new ATOM 0 HB2 TRP A 36 1.192 -16.698 -13.277 1.00 72.32 H new ATOM 0 HB3 TRP A 36 2.645 -16.996 -12.343 1.00 72.32 H new ATOM 0 HD1 TRP A 36 -1.049 -18.187 -12.525 1.00 70.24 H new ATOM 0 HE1 TRP A 36 -1.215 -20.575 -11.549 1.00 51.23 H new ATOM 0 HE3 TRP A 36 3.767 -18.660 -10.887 1.00 14.55 H new ATOM 0 HZ2 TRP A 36 0.513 -22.384 -10.259 1.00 62.25 H new ATOM 0 HZ3 TRP A 36 4.439 -20.756 -9.783 1.00 54.35 H new ATOM 0 HH2 TRP A 36 2.833 -22.597 -9.482 1.00 1.20 H new ATOM 587 N ALA A 37 2.891 -16.260 -9.669 1.00 42.10 N ATOM 588 CA ALA A 37 3.413 -16.596 -8.351 1.00 74.42 C ATOM 589 C ALA A 37 2.913 -15.617 -7.295 1.00 21.55 C ATOM 590 O ALA A 37 2.800 -15.961 -6.119 1.00 63.21 O ATOM 591 CB ALA A 37 4.934 -16.617 -8.376 1.00 33.25 C ATOM 0 H ALA A 37 3.606 -16.104 -10.379 1.00 42.10 H new ATOM 0 HA ALA A 37 3.051 -17.589 -8.087 1.00 74.42 H new ATOM 0 HB1 ALA A 37 5.311 -16.869 -7.385 1.00 33.25 H new ATOM 0 HB2 ALA A 37 5.276 -17.362 -9.095 1.00 33.25 H new ATOM 0 HB3 ALA A 37 5.307 -15.635 -8.667 1.00 33.25 H new ATOM 597 N SER A 38 2.617 -14.394 -7.723 1.00 65.53 N ATOM 598 CA SER A 38 2.132 -13.361 -6.814 1.00 34.14 C ATOM 599 C SER A 38 0.764 -13.732 -6.250 1.00 51.10 C ATOM 600 O SER A 38 0.511 -13.582 -5.055 1.00 24.32 O ATOM 601 CB SER A 38 2.052 -12.014 -7.534 1.00 45.23 C ATOM 602 OG SER A 38 3.043 -11.121 -7.058 1.00 20.13 O ATOM 0 H SER A 38 2.704 -14.094 -8.694 1.00 65.53 H new ATOM 0 HA SER A 38 2.837 -13.280 -5.986 1.00 34.14 H new ATOM 0 HB2 SER A 38 2.178 -12.163 -8.606 1.00 45.23 H new ATOM 0 HB3 SER A 38 1.064 -11.578 -7.387 1.00 45.23 H new ATOM 0 HG SER A 38 2.971 -10.268 -7.535 1.00 20.13 H new ATOM 608 N ARG A 39 -0.116 -14.219 -7.121 1.00 12.23 N ATOM 609 CA ARG A 39 -1.458 -14.610 -6.711 1.00 62.25 C ATOM 610 C ARG A 39 -1.417 -15.850 -5.823 1.00 33.12 C ATOM 611 O ARG A 39 -2.108 -15.921 -4.808 1.00 12.15 O ATOM 612 CB ARG A 39 -2.331 -14.879 -7.938 1.00 63.44 C ATOM 613 CG ARG A 39 -2.959 -13.626 -8.526 1.00 52.12 C ATOM 614 CD ARG A 39 -4.361 -13.897 -9.047 1.00 23.11 C ATOM 615 NE ARG A 39 -4.363 -14.218 -10.472 1.00 22.23 N ATOM 616 CZ ARG A 39 -5.470 -14.385 -11.187 1.00 40.44 C ATOM 617 NH1 ARG A 39 -6.659 -14.263 -10.612 1.00 10.25 N1+ ATOM 618 NH2 ARG A 39 -5.390 -14.675 -12.479 1.00 12.34 N ATOM 0 H ARG A 39 0.078 -14.351 -8.114 1.00 12.23 H new ATOM 0 HA ARG A 39 -1.889 -13.788 -6.139 1.00 62.25 H new ATOM 0 HB2 ARG A 39 -1.727 -15.366 -8.704 1.00 63.44 H new ATOM 0 HB3 ARG A 39 -3.122 -15.577 -7.664 1.00 63.44 H new ATOM 0 HG2 ARG A 39 -2.997 -12.846 -7.766 1.00 52.12 H new ATOM 0 HG3 ARG A 39 -2.335 -13.251 -9.337 1.00 52.12 H new ATOM 0 HD2 ARG A 39 -4.802 -14.723 -8.489 1.00 23.11 H new ATOM 0 HD3 ARG A 39 -4.988 -13.023 -8.871 1.00 23.11 H new ATOM 0 HE ARG A 39 -3.465 -14.320 -10.944 1.00 22.23 H new ATOM 0 HH11 ARG A 39 -6.725 -14.040 -9.619 1.00 10.25 H new ATOM 0 HH12 ARG A 39 -7.508 -14.392 -11.163 1.00 10.25 H new ATOM 0 HH21 ARG A 39 -4.478 -14.770 -12.925 1.00 12.34 H new ATOM 0 HH22 ARG A 39 -6.241 -14.803 -13.027 1.00 12.34 H new ATOM 632 N GLU A 40 -0.601 -16.824 -6.213 1.00 14.00 N ATOM 633 CA GLU A 40 -0.469 -18.062 -5.452 1.00 44.13 C ATOM 634 C GLU A 40 0.201 -17.804 -4.106 1.00 43.01 C ATOM 635 O GLU A 40 -0.006 -18.545 -3.144 1.00 42.12 O ATOM 636 CB GLU A 40 0.335 -19.092 -6.247 1.00 3.30 C ATOM 637 CG GLU A 40 -0.039 -20.531 -5.932 1.00 51.41 C ATOM 638 CD GLU A 40 -1.505 -20.823 -6.191 1.00 32.05 C ATOM 639 OE1 GLU A 40 -1.953 -20.629 -7.340 1.00 62.30 O ATOM 640 OE2 GLU A 40 -2.202 -21.243 -5.244 1.00 61.13 O1- ATOM 0 H GLU A 40 -0.021 -16.780 -7.051 1.00 14.00 H new ATOM 0 HA GLU A 40 -1.469 -18.456 -5.270 1.00 44.13 H new ATOM 0 HB2 GLU A 40 0.188 -18.912 -7.312 1.00 3.30 H new ATOM 0 HB3 GLU A 40 1.396 -18.948 -6.043 1.00 3.30 H new ATOM 0 HG2 GLU A 40 0.573 -21.202 -6.535 1.00 51.41 H new ATOM 0 HG3 GLU A 40 0.191 -20.742 -4.888 1.00 51.41 H new ATOM 647 N LEU A 41 1.007 -16.749 -4.046 1.00 41.41 N ATOM 648 CA LEU A 41 1.709 -16.393 -2.818 1.00 15.42 C ATOM 649 C LEU A 41 0.730 -15.919 -1.748 1.00 51.11 C ATOM 650 O LEU A 41 0.687 -16.468 -0.647 1.00 23.21 O ATOM 651 CB LEU A 41 2.744 -15.301 -3.097 1.00 71.13 C ATOM 652 CG LEU A 41 4.169 -15.783 -3.371 1.00 24.33 C ATOM 653 CD1 LEU A 41 5.077 -14.605 -3.692 1.00 61.20 C ATOM 654 CD2 LEU A 41 4.706 -16.563 -2.181 1.00 54.42 C ATOM 0 H LEU A 41 1.190 -16.126 -4.833 1.00 41.41 H new ATOM 0 HA LEU A 41 2.219 -17.283 -2.449 1.00 15.42 H new ATOM 0 HB2 LEU A 41 2.407 -14.719 -3.955 1.00 71.13 H new ATOM 0 HB3 LEU A 41 2.768 -14.624 -2.243 1.00 71.13 H new ATOM 0 HG LEU A 41 4.148 -16.447 -4.235 1.00 24.33 H new ATOM 0 HD11 LEU A 41 6.087 -14.966 -3.884 1.00 61.20 H new ATOM 0 HD12 LEU A 41 4.703 -14.087 -4.575 1.00 61.20 H new ATOM 0 HD13 LEU A 41 5.092 -13.917 -2.847 1.00 61.20 H new ATOM 0 HD21 LEU A 41 5.721 -16.898 -2.394 1.00 54.42 H new ATOM 0 HD22 LEU A 41 4.713 -15.922 -1.299 1.00 54.42 H new ATOM 0 HD23 LEU A 41 4.069 -17.428 -1.996 1.00 54.42 H new ATOM 666 N GLU A 42 -0.055 -14.900 -2.081 1.00 24.40 N ATOM 667 CA GLU A 42 -1.035 -14.355 -1.148 1.00 61.33 C ATOM 668 C GLU A 42 -1.963 -15.450 -0.631 1.00 74.50 C ATOM 669 O GLU A 42 -2.500 -15.354 0.473 1.00 32.41 O ATOM 670 CB GLU A 42 -1.854 -13.253 -1.822 1.00 63.14 C ATOM 671 CG GLU A 42 -3.034 -12.778 -0.992 1.00 4.51 C ATOM 672 CD GLU A 42 -3.233 -11.276 -1.065 1.00 65.20 C ATOM 673 OE1 GLU A 42 -3.128 -10.717 -2.177 1.00 42.21 O1- ATOM 674 OE2 GLU A 42 -3.495 -10.660 -0.011 1.00 33.22 O ATOM 0 H GLU A 42 -0.032 -14.435 -2.989 1.00 24.40 H new ATOM 0 HA GLU A 42 -0.496 -13.931 -0.301 1.00 61.33 H new ATOM 0 HB2 GLU A 42 -1.203 -12.404 -2.031 1.00 63.14 H new ATOM 0 HB3 GLU A 42 -2.219 -13.619 -2.782 1.00 63.14 H new ATOM 0 HG2 GLU A 42 -3.940 -13.278 -1.336 1.00 4.51 H new ATOM 0 HG3 GLU A 42 -2.883 -13.071 0.047 1.00 4.51 H new ATOM 681 N ARG A 43 -2.146 -16.491 -1.437 1.00 2.14 N ATOM 682 CA ARG A 43 -3.010 -17.604 -1.063 1.00 22.23 C ATOM 683 C ARG A 43 -2.421 -18.378 0.113 1.00 31.45 C ATOM 684 O ARG A 43 -3.152 -18.963 0.914 1.00 71.41 O ATOM 685 CB ARG A 43 -3.214 -18.542 -2.253 1.00 54.24 C ATOM 686 CG ARG A 43 -4.673 -18.861 -2.536 1.00 3.12 C ATOM 687 CD ARG A 43 -5.007 -20.302 -2.185 1.00 43.21 C ATOM 688 NE ARG A 43 -6.437 -20.574 -2.293 1.00 65.54 N ATOM 689 CZ ARG A 43 -7.014 -21.674 -1.824 1.00 54.31 C ATOM 690 NH1 ARG A 43 -6.286 -22.601 -1.217 1.00 74.01 N1+ ATOM 691 NH2 ARG A 43 -8.322 -21.851 -1.961 1.00 42.14 N ATOM 0 H ARG A 43 -1.707 -16.587 -2.353 1.00 2.14 H new ATOM 0 HA ARG A 43 -3.975 -17.196 -0.761 1.00 22.23 H new ATOM 0 HB2 ARG A 43 -2.771 -18.090 -3.141 1.00 54.24 H new ATOM 0 HB3 ARG A 43 -2.677 -19.472 -2.067 1.00 54.24 H new ATOM 0 HG2 ARG A 43 -5.311 -18.189 -1.963 1.00 3.12 H new ATOM 0 HG3 ARG A 43 -4.888 -18.683 -3.590 1.00 3.12 H new ATOM 0 HD2 ARG A 43 -4.459 -20.973 -2.847 1.00 43.21 H new ATOM 0 HD3 ARG A 43 -4.673 -20.514 -1.169 1.00 43.21 H new ATOM 0 HE ARG A 43 -7.026 -19.881 -2.754 1.00 65.54 H new ATOM 0 HH11 ARG A 43 -5.280 -22.470 -1.109 1.00 74.01 H new ATOM 0 HH12 ARG A 43 -6.732 -23.445 -0.858 1.00 74.01 H new ATOM 0 HH21 ARG A 43 -8.887 -21.141 -2.428 1.00 42.14 H new ATOM 0 HH22 ARG A 43 -8.763 -22.697 -1.600 1.00 42.14 H new ATOM 705 N PHE A 44 -1.096 -18.376 0.212 1.00 35.32 N ATOM 706 CA PHE A 44 -0.408 -19.079 1.288 1.00 23.03 C ATOM 707 C PHE A 44 -0.080 -18.128 2.436 1.00 11.31 C ATOM 708 O PHE A 44 0.886 -18.334 3.171 1.00 64.15 O ATOM 709 CB PHE A 44 0.876 -19.726 0.765 1.00 41.45 C ATOM 710 CG PHE A 44 0.633 -20.791 -0.266 1.00 71.15 C ATOM 711 CD1 PHE A 44 -0.156 -21.891 0.027 1.00 45.53 C ATOM 712 CD2 PHE A 44 1.194 -20.692 -1.529 1.00 40.11 C ATOM 713 CE1 PHE A 44 -0.383 -22.873 -0.920 1.00 1.34 C ATOM 714 CE2 PHE A 44 0.971 -21.670 -2.480 1.00 32.23 C ATOM 715 CZ PHE A 44 0.183 -22.762 -2.174 1.00 60.21 C ATOM 0 H PHE A 44 -0.477 -17.895 -0.440 1.00 35.32 H new ATOM 0 HA PHE A 44 -1.072 -19.858 1.662 1.00 23.03 H new ATOM 0 HB2 PHE A 44 1.514 -18.954 0.335 1.00 41.45 H new ATOM 0 HB3 PHE A 44 1.422 -20.160 1.603 1.00 41.45 H new ATOM 0 HD1 PHE A 44 -0.600 -21.983 1.007 1.00 45.53 H new ATOM 0 HD2 PHE A 44 1.813 -19.841 -1.773 1.00 40.11 H new ATOM 0 HE1 PHE A 44 -1.002 -23.725 -0.679 1.00 1.34 H new ATOM 0 HE2 PHE A 44 1.413 -21.580 -3.461 1.00 32.23 H new ATOM 0 HZ PHE A 44 0.010 -23.528 -2.915 1.00 60.21 H new ATOM 725 N ALA A 45 -0.891 -17.085 2.583 1.00 43.31 N ATOM 726 CA ALA A 45 -0.689 -16.103 3.640 1.00 11.44 C ATOM 727 C ALA A 45 0.629 -15.361 3.456 1.00 34.34 C ATOM 728 O ALA A 45 1.177 -14.801 4.406 1.00 24.13 O ATOM 729 CB ALA A 45 -0.731 -16.779 5.003 1.00 34.11 C ATOM 0 H ALA A 45 -1.694 -16.899 1.983 1.00 43.31 H new ATOM 0 HA ALA A 45 -1.497 -15.373 3.583 1.00 11.44 H new ATOM 0 HB1 ALA A 45 -0.579 -16.034 5.784 1.00 34.11 H new ATOM 0 HB2 ALA A 45 -1.701 -17.257 5.142 1.00 34.11 H new ATOM 0 HB3 ALA A 45 0.056 -17.531 5.061 1.00 34.11 H new ATOM 735 N VAL A 46 1.137 -15.361 2.227 1.00 24.11 N ATOM 736 CA VAL A 46 2.392 -14.687 1.917 1.00 32.12 C ATOM 737 C VAL A 46 2.180 -13.569 0.902 1.00 42.04 C ATOM 738 O VAL A 46 1.816 -13.822 -0.246 1.00 21.42 O ATOM 739 CB VAL A 46 3.438 -15.674 1.367 1.00 31.23 C ATOM 740 CG1 VAL A 46 4.725 -14.946 1.012 1.00 1.14 C ATOM 741 CG2 VAL A 46 3.703 -16.784 2.374 1.00 33.54 C ATOM 0 H VAL A 46 0.698 -15.821 1.430 1.00 24.11 H new ATOM 0 HA VAL A 46 2.761 -14.261 2.850 1.00 32.12 H new ATOM 0 HB VAL A 46 3.043 -16.126 0.457 1.00 31.23 H new ATOM 0 HG11 VAL A 46 5.452 -15.660 0.625 1.00 1.14 H new ATOM 0 HG12 VAL A 46 4.519 -14.191 0.253 1.00 1.14 H new ATOM 0 HG13 VAL A 46 5.128 -14.464 1.903 1.00 1.14 H new ATOM 0 HG21 VAL A 46 4.445 -17.473 1.969 1.00 33.54 H new ATOM 0 HG22 VAL A 46 4.077 -16.352 3.302 1.00 33.54 H new ATOM 0 HG23 VAL A 46 2.777 -17.324 2.573 1.00 33.54 H new ATOM 751 N ASN A 47 2.410 -12.334 1.333 1.00 34.51 N ATOM 752 CA ASN A 47 2.245 -11.177 0.461 1.00 62.14 C ATOM 753 C ASN A 47 3.216 -11.238 -0.715 1.00 41.24 C ATOM 754 O ASN A 47 4.349 -11.705 -0.593 1.00 4.11 O ATOM 755 CB ASN A 47 2.461 -9.883 1.249 1.00 74.22 C ATOM 756 CG ASN A 47 1.277 -8.941 1.150 1.00 23.12 C ATOM 757 OD1 ASN A 47 0.124 -9.367 1.218 1.00 65.31 O ATOM 758 ND2 ASN A 47 1.558 -7.653 0.990 1.00 64.44 N ATOM 0 H ASN A 47 2.711 -12.108 2.281 1.00 34.51 H new ATOM 0 HA ASN A 47 1.228 -11.191 0.070 1.00 62.14 H new ATOM 0 HB2 ASN A 47 2.643 -10.125 2.296 1.00 74.22 H new ATOM 0 HB3 ASN A 47 3.354 -9.380 0.878 1.00 74.22 H new ATOM 0 HD21 ASN A 47 0.803 -6.971 0.918 1.00 64.44 H new ATOM 0 HD22 ASN A 47 2.529 -7.345 0.939 1.00 64.44 H new ATOM 765 N PRO A 48 2.763 -10.756 -1.882 1.00 10.21 N ATOM 766 CA PRO A 48 3.575 -10.743 -3.102 1.00 35.13 C ATOM 767 C PRO A 48 4.724 -9.745 -3.023 1.00 34.24 C ATOM 768 O PRO A 48 5.646 -9.778 -3.836 1.00 71.12 O ATOM 769 CB PRO A 48 2.579 -10.327 -4.187 1.00 53.02 C ATOM 770 CG PRO A 48 1.529 -9.558 -3.462 1.00 42.33 C ATOM 771 CD PRO A 48 1.423 -10.185 -2.100 1.00 33.12 C ATOM 0 HA PRO A 48 4.049 -11.707 -3.286 1.00 35.13 H new ATOM 0 HB2 PRO A 48 3.059 -9.717 -4.952 1.00 53.02 H new ATOM 0 HB3 PRO A 48 2.156 -11.196 -4.691 1.00 53.02 H new ATOM 0 HG2 PRO A 48 1.799 -8.505 -3.387 1.00 42.33 H new ATOM 0 HG3 PRO A 48 0.576 -9.606 -3.989 1.00 42.33 H new ATOM 0 HD2 PRO A 48 1.171 -9.448 -1.337 1.00 33.12 H new ATOM 0 HD3 PRO A 48 0.649 -10.952 -2.070 1.00 33.12 H new ATOM 779 N GLY A 49 4.664 -8.855 -2.036 1.00 40.43 N ATOM 780 CA GLY A 49 5.706 -7.860 -1.869 1.00 21.15 C ATOM 781 C GLY A 49 7.046 -8.477 -1.521 1.00 4.01 C ATOM 782 O GLY A 49 8.085 -7.823 -1.627 1.00 71.25 O ATOM 0 H GLY A 49 3.911 -8.806 -1.349 1.00 40.43 H new ATOM 0 HA2 GLY A 49 5.803 -7.282 -2.788 1.00 21.15 H new ATOM 0 HA3 GLY A 49 5.416 -7.162 -1.083 1.00 21.15 H new ATOM 786 N LEU A 50 7.025 -9.737 -1.101 1.00 63.43 N ATOM 787 CA LEU A 50 8.248 -10.442 -0.735 1.00 71.21 C ATOM 788 C LEU A 50 9.049 -10.823 -1.975 1.00 20.21 C ATOM 789 O LEU A 50 10.263 -11.025 -1.906 1.00 23.21 O ATOM 790 CB LEU A 50 7.914 -11.695 0.076 1.00 2.21 C ATOM 791 CG LEU A 50 7.028 -11.484 1.304 1.00 23.15 C ATOM 792 CD1 LEU A 50 6.845 -12.790 2.061 1.00 53.33 C ATOM 793 CD2 LEU A 50 7.621 -10.417 2.213 1.00 33.31 C ATOM 0 H LEU A 50 6.174 -10.291 -1.005 1.00 63.43 H new ATOM 0 HA LEU A 50 8.855 -9.773 -0.125 1.00 71.21 H new ATOM 0 HB2 LEU A 50 7.422 -12.410 -0.584 1.00 2.21 H new ATOM 0 HB3 LEU A 50 8.848 -12.152 0.401 1.00 2.21 H new ATOM 0 HG LEU A 50 6.049 -11.143 0.967 1.00 23.15 H new ATOM 0 HD11 LEU A 50 6.212 -12.620 2.932 1.00 53.33 H new ATOM 0 HD12 LEU A 50 6.375 -13.526 1.409 1.00 53.33 H new ATOM 0 HD13 LEU A 50 7.817 -13.161 2.386 1.00 53.33 H new ATOM 0 HD21 LEU A 50 6.977 -10.280 3.082 1.00 33.31 H new ATOM 0 HD22 LEU A 50 8.612 -10.729 2.542 1.00 33.31 H new ATOM 0 HD23 LEU A 50 7.699 -9.477 1.667 1.00 33.31 H new ATOM 805 N LEU A 51 8.365 -10.919 -3.109 1.00 52.23 N ATOM 806 CA LEU A 51 9.013 -11.274 -4.367 1.00 41.32 C ATOM 807 C LEU A 51 10.029 -10.212 -4.775 1.00 11.14 C ATOM 808 O LEU A 51 10.973 -10.494 -5.511 1.00 65.51 O ATOM 809 CB LEU A 51 7.968 -11.446 -5.471 1.00 55.42 C ATOM 810 CG LEU A 51 7.004 -12.622 -5.304 1.00 22.54 C ATOM 811 CD1 LEU A 51 5.954 -12.611 -6.404 1.00 2.12 C ATOM 812 CD2 LEU A 51 7.764 -13.939 -5.304 1.00 54.43 C ATOM 0 H LEU A 51 7.361 -10.756 -3.184 1.00 52.23 H new ATOM 0 HA LEU A 51 9.539 -12.218 -4.222 1.00 41.32 H new ATOM 0 HB2 LEU A 51 7.383 -10.529 -5.536 1.00 55.42 H new ATOM 0 HB3 LEU A 51 8.488 -11.561 -6.422 1.00 55.42 H new ATOM 0 HG LEU A 51 6.497 -12.518 -4.344 1.00 22.54 H new ATOM 0 HD11 LEU A 51 5.277 -13.455 -6.269 1.00 2.12 H new ATOM 0 HD12 LEU A 51 5.388 -11.681 -6.358 1.00 2.12 H new ATOM 0 HD13 LEU A 51 6.443 -12.690 -7.375 1.00 2.12 H new ATOM 0 HD21 LEU A 51 7.062 -14.764 -5.184 1.00 54.43 H new ATOM 0 HD22 LEU A 51 8.298 -14.051 -6.248 1.00 54.43 H new ATOM 0 HD23 LEU A 51 8.478 -13.947 -4.480 1.00 54.43 H new ATOM 824 N GLU A 52 9.829 -8.991 -4.289 1.00 14.44 N ATOM 825 CA GLU A 52 10.729 -7.888 -4.601 1.00 31.33 C ATOM 826 C GLU A 52 11.698 -7.632 -3.450 1.00 63.41 C ATOM 827 O GLU A 52 12.202 -6.521 -3.282 1.00 62.03 O ATOM 828 CB GLU A 52 9.930 -6.617 -4.901 1.00 1.50 C ATOM 829 CG GLU A 52 9.133 -6.105 -3.713 1.00 42.12 C ATOM 830 CD GLU A 52 9.138 -4.593 -3.616 1.00 24.34 C ATOM 831 OE1 GLU A 52 10.193 -3.983 -3.888 1.00 74.23 O1- ATOM 832 OE2 GLU A 52 8.085 -4.017 -3.268 1.00 43.01 O ATOM 0 H GLU A 52 9.052 -8.741 -3.678 1.00 14.44 H new ATOM 0 HA GLU A 52 11.306 -8.164 -5.484 1.00 31.33 H new ATOM 0 HB2 GLU A 52 10.615 -5.837 -5.232 1.00 1.50 H new ATOM 0 HB3 GLU A 52 9.248 -6.813 -5.728 1.00 1.50 H new ATOM 0 HG2 GLU A 52 8.104 -6.457 -3.791 1.00 42.12 H new ATOM 0 HG3 GLU A 52 9.545 -6.526 -2.796 1.00 42.12 H new ATOM 839 N THR A 53 11.953 -8.669 -2.659 1.00 13.14 N ATOM 840 CA THR A 53 12.859 -8.558 -1.522 1.00 20.22 C ATOM 841 C THR A 53 13.815 -9.744 -1.464 1.00 13.34 C ATOM 842 O THR A 53 13.386 -10.896 -1.411 1.00 55.10 O ATOM 843 CB THR A 53 12.085 -8.470 -0.193 1.00 30.54 C ATOM 844 OG1 THR A 53 11.540 -9.750 0.141 1.00 40.51 O ATOM 845 CG2 THR A 53 10.966 -7.444 -0.285 1.00 53.24 C ATOM 0 H THR A 53 11.545 -9.595 -2.784 1.00 13.14 H new ATOM 0 HA THR A 53 13.431 -7.641 -1.661 1.00 20.22 H new ATOM 0 HB THR A 53 12.779 -8.157 0.587 1.00 30.54 H new ATOM 0 HG1 THR A 53 11.101 -10.134 -0.646 1.00 40.51 H new ATOM 0 HG21 THR A 53 10.434 -7.400 0.665 1.00 53.24 H new ATOM 0 HG22 THR A 53 11.388 -6.465 -0.510 1.00 53.24 H new ATOM 0 HG23 THR A 53 10.273 -7.731 -1.076 1.00 53.24 H new ATOM 853 N SER A 54 15.112 -9.453 -1.472 1.00 52.41 N ATOM 854 CA SER A 54 16.129 -10.497 -1.422 1.00 55.14 C ATOM 855 C SER A 54 15.959 -11.364 -0.178 1.00 23.52 C ATOM 856 O SER A 54 16.402 -12.511 -0.142 1.00 72.41 O ATOM 857 CB SER A 54 17.528 -9.877 -1.437 1.00 52.10 C ATOM 858 OG SER A 54 17.876 -9.373 -0.159 1.00 61.23 O ATOM 0 H SER A 54 15.483 -8.504 -1.513 1.00 52.41 H new ATOM 0 HA SER A 54 16.009 -11.128 -2.302 1.00 55.14 H new ATOM 0 HB2 SER A 54 18.257 -10.625 -1.747 1.00 52.10 H new ATOM 0 HB3 SER A 54 17.565 -9.072 -2.171 1.00 52.10 H new ATOM 0 HG SER A 54 18.775 -8.984 -0.194 1.00 61.23 H new ATOM 864 N GLU A 55 15.312 -10.805 0.841 1.00 74.11 N ATOM 865 CA GLU A 55 15.084 -11.526 2.087 1.00 1.14 C ATOM 866 C GLU A 55 13.837 -12.400 1.989 1.00 23.22 C ATOM 867 O GLU A 55 13.859 -13.576 2.353 1.00 25.04 O ATOM 868 CB GLU A 55 14.941 -10.544 3.252 1.00 1.21 C ATOM 869 CG GLU A 55 15.696 -10.967 4.501 1.00 41.31 C ATOM 870 CD GLU A 55 15.852 -9.838 5.500 1.00 25.40 C ATOM 871 OE1 GLU A 55 16.573 -8.866 5.189 1.00 73.11 O1- ATOM 872 OE2 GLU A 55 15.252 -9.924 6.591 1.00 10.43 O ATOM 0 H GLU A 55 14.937 -9.856 0.827 1.00 74.11 H new ATOM 0 HA GLU A 55 15.945 -12.169 2.267 1.00 1.14 H new ATOM 0 HB2 GLU A 55 15.299 -9.564 2.936 1.00 1.21 H new ATOM 0 HB3 GLU A 55 13.884 -10.434 3.496 1.00 1.21 H new ATOM 0 HG2 GLU A 55 15.171 -11.796 4.975 1.00 41.31 H new ATOM 0 HG3 GLU A 55 16.682 -11.335 4.218 1.00 41.31 H new ATOM 879 N GLY A 56 12.749 -11.816 1.495 1.00 14.45 N ATOM 880 CA GLY A 56 11.508 -12.555 1.359 1.00 42.32 C ATOM 881 C GLY A 56 11.679 -13.836 0.566 1.00 2.03 C ATOM 882 O GLY A 56 11.246 -14.904 0.998 1.00 5.53 O ATOM 0 H GLY A 56 12.705 -10.845 1.187 1.00 14.45 H new ATOM 0 HA2 GLY A 56 11.121 -12.794 2.349 1.00 42.32 H new ATOM 0 HA3 GLY A 56 10.765 -11.925 0.870 1.00 42.32 H new ATOM 886 N CYS A 57 12.311 -13.729 -0.598 1.00 21.21 N ATOM 887 CA CYS A 57 12.537 -14.886 -1.455 1.00 52.55 C ATOM 888 C CYS A 57 13.200 -16.018 -0.676 1.00 52.31 C ATOM 889 O CYS A 57 12.814 -17.181 -0.800 1.00 62.42 O ATOM 890 CB CYS A 57 13.404 -14.500 -2.653 1.00 60.43 C ATOM 891 SG CYS A 57 12.558 -14.621 -4.247 1.00 50.23 S ATOM 0 H CYS A 57 12.676 -12.852 -0.969 1.00 21.21 H new ATOM 0 HA CYS A 57 11.569 -15.234 -1.815 1.00 52.55 H new ATOM 0 HB2 CYS A 57 13.757 -13.478 -2.518 1.00 60.43 H new ATOM 0 HB3 CYS A 57 14.285 -15.141 -2.672 1.00 60.43 H new ATOM 0 HG CYS A 57 12.838 -15.763 -4.802 1.00 50.23 H new ATOM 897 N ARG A 58 14.202 -15.670 0.126 1.00 42.02 N ATOM 898 CA ARG A 58 14.921 -16.657 0.923 1.00 64.54 C ATOM 899 C ARG A 58 13.972 -17.390 1.866 1.00 74.33 C ATOM 900 O ARG A 58 14.131 -18.585 2.115 1.00 1.25 O ATOM 901 CB ARG A 58 16.035 -15.981 1.725 1.00 51.44 C ATOM 902 CG ARG A 58 16.974 -16.962 2.407 1.00 62.35 C ATOM 903 CD ARG A 58 17.113 -16.661 3.891 1.00 52.02 C ATOM 904 NE ARG A 58 17.832 -15.413 4.131 1.00 15.13 N ATOM 905 CZ ARG A 58 17.911 -14.829 5.321 1.00 64.31 C ATOM 906 NH1 ARG A 58 17.319 -15.376 6.373 1.00 2.33 N1+ ATOM 907 NH2 ARG A 58 18.584 -13.694 5.460 1.00 23.33 N ATOM 0 H ARG A 58 14.534 -14.712 0.241 1.00 42.02 H new ATOM 0 HA ARG A 58 15.363 -17.385 0.243 1.00 64.54 H new ATOM 0 HB2 ARG A 58 16.613 -15.340 1.059 1.00 51.44 H new ATOM 0 HB3 ARG A 58 15.587 -15.335 2.480 1.00 51.44 H new ATOM 0 HG2 ARG A 58 16.600 -17.977 2.274 1.00 62.35 H new ATOM 0 HG3 ARG A 58 17.954 -16.919 1.933 1.00 62.35 H new ATOM 0 HD2 ARG A 58 16.123 -16.602 4.343 1.00 52.02 H new ATOM 0 HD3 ARG A 58 17.638 -17.482 4.380 1.00 52.02 H new ATOM 0 HE ARG A 58 18.299 -14.966 3.342 1.00 15.13 H new ATOM 0 HH11 ARG A 58 16.801 -16.248 6.270 1.00 2.33 H new ATOM 0 HH12 ARG A 58 17.382 -14.925 7.286 1.00 2.33 H new ATOM 0 HH21 ARG A 58 19.041 -13.270 4.653 1.00 23.33 H new ATOM 0 HH22 ARG A 58 18.644 -13.246 6.374 1.00 23.33 H new ATOM 921 N GLN A 59 12.986 -16.666 2.386 1.00 34.14 N ATOM 922 CA GLN A 59 12.013 -17.248 3.303 1.00 72.15 C ATOM 923 C GLN A 59 10.986 -18.085 2.547 1.00 21.22 C ATOM 924 O GLN A 59 10.716 -19.230 2.911 1.00 71.02 O ATOM 925 CB GLN A 59 11.307 -16.147 4.097 1.00 11.11 C ATOM 926 CG GLN A 59 11.706 -16.103 5.564 1.00 75.43 C ATOM 927 CD GLN A 59 10.516 -16.211 6.495 1.00 31.01 C ATOM 928 OE1 GLN A 59 10.153 -15.247 7.170 1.00 70.23 O ATOM 929 NE2 GLN A 59 9.901 -17.386 6.539 1.00 73.23 N ATOM 0 H GLN A 59 12.840 -15.676 2.188 1.00 34.14 H new ATOM 0 HA GLN A 59 12.547 -17.899 3.995 1.00 72.15 H new ATOM 0 HB2 GLN A 59 11.528 -15.182 3.640 1.00 11.11 H new ATOM 0 HB3 GLN A 59 10.229 -16.294 4.026 1.00 11.11 H new ATOM 0 HG2 GLN A 59 12.401 -16.917 5.772 1.00 75.43 H new ATOM 0 HG3 GLN A 59 12.236 -15.172 5.765 1.00 75.43 H new ATOM 0 HE21 GLN A 59 10.235 -18.158 5.963 1.00 73.23 H new ATOM 0 HE22 GLN A 59 9.094 -17.517 7.149 1.00 73.23 H new ATOM 938 N ILE A 60 10.417 -17.506 1.496 1.00 31.34 N ATOM 939 CA ILE A 60 9.421 -18.199 0.689 1.00 2.32 C ATOM 940 C ILE A 60 9.935 -19.559 0.229 1.00 31.41 C ATOM 941 O ILE A 60 9.184 -20.534 0.178 1.00 70.31 O ATOM 942 CB ILE A 60 9.019 -17.369 -0.546 1.00 10.30 C ATOM 943 CG1 ILE A 60 8.469 -16.008 -0.115 1.00 35.41 C ATOM 944 CG2 ILE A 60 7.993 -18.122 -1.378 1.00 0.12 C ATOM 945 CD1 ILE A 60 8.454 -14.984 -1.229 1.00 11.50 C ATOM 0 H ILE A 60 10.629 -16.559 1.183 1.00 31.34 H new ATOM 0 HA ILE A 60 8.545 -18.340 1.322 1.00 2.32 H new ATOM 0 HB ILE A 60 9.905 -17.204 -1.160 1.00 10.30 H new ATOM 0 HG12 ILE A 60 7.455 -16.138 0.263 1.00 35.41 H new ATOM 0 HG13 ILE A 60 9.070 -15.627 0.710 1.00 35.41 H new ATOM 0 HG21 ILE A 60 7.719 -17.523 -2.247 1.00 0.12 H new ATOM 0 HG22 ILE A 60 8.418 -19.069 -1.710 1.00 0.12 H new ATOM 0 HG23 ILE A 60 7.106 -18.314 -0.775 1.00 0.12 H new ATOM 0 HD11 ILE A 60 8.052 -14.043 -0.853 1.00 11.50 H new ATOM 0 HD12 ILE A 60 9.470 -14.826 -1.591 1.00 11.50 H new ATOM 0 HD13 ILE A 60 7.829 -15.345 -2.046 1.00 11.50 H new ATOM 957 N LEU A 61 11.219 -19.617 -0.105 1.00 10.14 N ATOM 958 CA LEU A 61 11.837 -20.858 -0.560 1.00 1.52 C ATOM 959 C LEU A 61 12.094 -21.800 0.613 1.00 11.21 C ATOM 960 O LEU A 61 12.148 -23.017 0.444 1.00 54.01 O ATOM 961 CB LEU A 61 13.148 -20.561 -1.287 1.00 74.05 C ATOM 962 CG LEU A 61 13.037 -19.708 -2.551 1.00 3.03 C ATOM 963 CD1 LEU A 61 14.380 -19.081 -2.892 1.00 63.34 C ATOM 964 CD2 LEU A 61 12.524 -20.543 -3.716 1.00 14.03 C ATOM 0 H LEU A 61 11.853 -18.819 -0.069 1.00 10.14 H new ATOM 0 HA LEU A 61 11.149 -21.346 -1.250 1.00 1.52 H new ATOM 0 HB2 LEU A 61 13.820 -20.058 -0.591 1.00 74.05 H new ATOM 0 HB3 LEU A 61 13.616 -21.509 -1.553 1.00 74.05 H new ATOM 0 HG LEU A 61 12.323 -18.906 -2.363 1.00 3.03 H new ATOM 0 HD11 LEU A 61 14.281 -18.478 -3.794 1.00 63.34 H new ATOM 0 HD12 LEU A 61 14.706 -18.448 -2.066 1.00 63.34 H new ATOM 0 HD13 LEU A 61 15.116 -19.867 -3.060 1.00 63.34 H new ATOM 0 HD21 LEU A 61 12.452 -19.919 -4.607 1.00 14.03 H new ATOM 0 HD22 LEU A 61 13.213 -21.366 -3.905 1.00 14.03 H new ATOM 0 HD23 LEU A 61 11.540 -20.942 -3.472 1.00 14.03 H new ATOM 976 N GLY A 62 12.250 -21.227 1.802 1.00 13.01 N ATOM 977 CA GLY A 62 12.497 -22.029 2.986 1.00 12.02 C ATOM 978 C GLY A 62 11.289 -22.848 3.394 1.00 4.32 C ATOM 979 O GLY A 62 11.416 -23.834 4.121 1.00 25.41 O ATOM 0 H GLY A 62 12.210 -20.221 1.967 1.00 13.01 H new ATOM 0 HA2 GLY A 62 13.338 -22.696 2.800 1.00 12.02 H new ATOM 0 HA3 GLY A 62 12.784 -21.376 3.810 1.00 12.02 H new ATOM 983 N GLN A 63 10.114 -22.437 2.929 1.00 41.35 N ATOM 984 CA GLN A 63 8.877 -23.140 3.253 1.00 23.44 C ATOM 985 C GLN A 63 8.534 -24.163 2.176 1.00 70.22 C ATOM 986 O GLN A 63 7.859 -25.159 2.444 1.00 70.42 O ATOM 987 CB GLN A 63 7.727 -22.143 3.410 1.00 10.11 C ATOM 988 CG GLN A 63 7.515 -21.680 4.843 1.00 32.41 C ATOM 989 CD GLN A 63 6.947 -22.768 5.731 1.00 41.14 C ATOM 990 OE1 GLN A 63 6.788 -23.913 5.305 1.00 32.51 O ATOM 991 NE2 GLN A 63 6.636 -22.417 6.974 1.00 71.41 N ATOM 0 H GLN A 63 9.992 -21.622 2.328 1.00 41.35 H new ATOM 0 HA GLN A 63 9.024 -23.668 4.195 1.00 23.44 H new ATOM 0 HB2 GLN A 63 7.922 -21.274 2.781 1.00 10.11 H new ATOM 0 HB3 GLN A 63 6.808 -22.601 3.045 1.00 10.11 H new ATOM 0 HG2 GLN A 63 8.465 -21.340 5.255 1.00 32.41 H new ATOM 0 HG3 GLN A 63 6.841 -20.824 4.848 1.00 32.41 H new ATOM 0 HE21 GLN A 63 6.784 -21.457 7.285 1.00 71.41 H new ATOM 0 HE22 GLN A 63 6.249 -23.108 7.617 1.00 71.41 H new ATOM 1000 N LEU A 64 9.002 -23.914 0.958 1.00 25.22 N ATOM 1001 CA LEU A 64 8.744 -24.814 -0.161 1.00 12.51 C ATOM 1002 C LEU A 64 9.846 -25.862 -0.279 1.00 74.24 C ATOM 1003 O LEU A 64 9.621 -26.956 -0.797 1.00 40.21 O ATOM 1004 CB LEU A 64 8.636 -24.022 -1.464 1.00 23.12 C ATOM 1005 CG LEU A 64 7.499 -23.001 -1.536 1.00 44.33 C ATOM 1006 CD1 LEU A 64 7.578 -22.206 -2.830 1.00 4.24 C ATOM 1007 CD2 LEU A 64 6.150 -23.696 -1.417 1.00 22.30 C ATOM 0 H LEU A 64 9.563 -23.096 0.720 1.00 25.22 H new ATOM 0 HA LEU A 64 7.799 -25.325 0.025 1.00 12.51 H new ATOM 0 HB2 LEU A 64 9.578 -23.499 -1.627 1.00 23.12 H new ATOM 0 HB3 LEU A 64 8.517 -24.728 -2.286 1.00 23.12 H new ATOM 0 HG LEU A 64 7.604 -22.309 -0.701 1.00 44.33 H new ATOM 0 HD11 LEU A 64 6.762 -21.485 -2.864 1.00 4.24 H new ATOM 0 HD12 LEU A 64 8.531 -21.678 -2.875 1.00 4.24 H new ATOM 0 HD13 LEU A 64 7.498 -22.885 -3.679 1.00 4.24 H new ATOM 0 HD21 LEU A 64 5.353 -22.955 -1.470 1.00 22.30 H new ATOM 0 HD22 LEU A 64 6.036 -24.411 -2.232 1.00 22.30 H new ATOM 0 HD23 LEU A 64 6.094 -24.221 -0.463 1.00 22.30 H new ATOM 1019 N GLN A 65 11.035 -25.521 0.204 1.00 31.34 N ATOM 1020 CA GLN A 65 12.171 -26.433 0.152 1.00 74.12 C ATOM 1021 C GLN A 65 11.806 -27.792 0.742 1.00 44.40 C ATOM 1022 O GLN A 65 11.840 -28.819 0.065 1.00 72.10 O ATOM 1023 CB GLN A 65 13.364 -25.841 0.906 1.00 51.54 C ATOM 1024 CG GLN A 65 14.543 -25.502 0.009 1.00 64.10 C ATOM 1025 CD GLN A 65 15.836 -25.338 0.782 1.00 54.31 C ATOM 1026 OE1 GLN A 65 15.826 -25.033 1.975 1.00 52.44 O ATOM 1027 NE2 GLN A 65 16.961 -25.541 0.106 1.00 61.53 N ATOM 0 H GLN A 65 11.237 -24.619 0.636 1.00 31.34 H new ATOM 0 HA GLN A 65 12.444 -26.572 -0.894 1.00 74.12 H new ATOM 0 HB2 GLN A 65 13.043 -24.939 1.426 1.00 51.54 H new ATOM 0 HB3 GLN A 65 13.690 -26.549 1.668 1.00 51.54 H new ATOM 0 HG2 GLN A 65 14.666 -26.289 -0.735 1.00 64.10 H new ATOM 0 HG3 GLN A 65 14.329 -24.581 -0.533 1.00 64.10 H new ATOM 0 HE21 GLN A 65 16.924 -25.792 -0.882 1.00 61.53 H new ATOM 0 HE22 GLN A 65 17.862 -25.446 0.575 1.00 61.53 H new ATOM 1036 N PRO A 66 11.447 -27.798 2.034 1.00 71.04 N ATOM 1037 CA PRO A 66 11.068 -29.024 2.743 1.00 4.23 C ATOM 1038 C PRO A 66 9.729 -29.578 2.268 1.00 51.44 C ATOM 1039 O PRO A 66 9.401 -30.739 2.519 1.00 33.23 O ATOM 1040 CB PRO A 66 10.971 -28.573 4.204 1.00 60.35 C ATOM 1041 CG PRO A 66 10.678 -27.115 4.131 1.00 44.22 C ATOM 1042 CD PRO A 66 11.383 -26.611 2.902 1.00 23.23 C ATOM 0 HA PRO A 66 11.784 -29.829 2.577 1.00 4.23 H new ATOM 0 HB2 PRO A 66 10.183 -29.109 4.732 1.00 60.35 H new ATOM 0 HB3 PRO A 66 11.901 -28.764 4.740 1.00 60.35 H new ATOM 0 HG2 PRO A 66 9.605 -26.936 4.066 1.00 44.22 H new ATOM 0 HG3 PRO A 66 11.034 -26.600 5.024 1.00 44.22 H new ATOM 0 HD2 PRO A 66 10.834 -25.797 2.429 1.00 23.23 H new ATOM 0 HD3 PRO A 66 12.377 -26.231 3.137 1.00 23.23 H new ATOM 1050 N SER A 67 8.958 -28.743 1.579 1.00 21.13 N ATOM 1051 CA SER A 67 7.653 -29.149 1.070 1.00 32.43 C ATOM 1052 C SER A 67 7.717 -29.427 -0.428 1.00 41.24 C ATOM 1053 O SER A 67 6.717 -29.306 -1.137 1.00 61.22 O ATOM 1054 CB SER A 67 6.611 -28.066 1.356 1.00 13.22 C ATOM 1055 OG SER A 67 5.299 -28.599 1.321 1.00 0.44 O ATOM 0 H SER A 67 9.215 -27.780 1.360 1.00 21.13 H new ATOM 0 HA SER A 67 7.361 -30.067 1.580 1.00 32.43 H new ATOM 0 HB2 SER A 67 6.801 -27.623 2.334 1.00 13.22 H new ATOM 0 HB3 SER A 67 6.702 -27.266 0.621 1.00 13.22 H new ATOM 0 HG SER A 67 5.159 -29.069 0.472 1.00 0.44 H new ATOM 1061 N LEU A 68 8.900 -29.799 -0.905 1.00 51.45 N ATOM 1062 CA LEU A 68 9.096 -30.095 -2.320 1.00 11.23 C ATOM 1063 C LEU A 68 8.607 -31.501 -2.655 1.00 55.03 C ATOM 1064 O LEU A 68 8.096 -31.746 -3.748 1.00 2.44 O ATOM 1065 CB LEU A 68 10.573 -29.955 -2.691 1.00 63.20 C ATOM 1066 CG LEU A 68 10.985 -28.617 -3.307 1.00 70.20 C ATOM 1067 CD1 LEU A 68 12.499 -28.527 -3.423 1.00 74.25 C ATOM 1068 CD2 LEU A 68 10.332 -28.434 -4.670 1.00 15.22 C ATOM 0 H LEU A 68 9.738 -29.903 -0.333 1.00 51.45 H new ATOM 0 HA LEU A 68 8.513 -29.379 -2.900 1.00 11.23 H new ATOM 0 HB2 LEU A 68 11.170 -30.118 -1.794 1.00 63.20 H new ATOM 0 HB3 LEU A 68 10.828 -30.749 -3.392 1.00 63.20 H new ATOM 0 HG LEU A 68 10.643 -27.816 -2.652 1.00 70.20 H new ATOM 0 HD11 LEU A 68 12.774 -27.569 -3.863 1.00 74.25 H new ATOM 0 HD12 LEU A 68 12.946 -28.613 -2.432 1.00 74.25 H new ATOM 0 HD13 LEU A 68 12.864 -29.335 -4.057 1.00 74.25 H new ATOM 0 HD21 LEU A 68 10.636 -27.477 -5.094 1.00 15.22 H new ATOM 0 HD22 LEU A 68 10.644 -29.240 -5.334 1.00 15.22 H new ATOM 0 HD23 LEU A 68 9.248 -28.454 -4.560 1.00 15.22 H new ATOM 1080 N GLN A 69 8.768 -32.420 -1.708 1.00 2.02 N ATOM 1081 CA GLN A 69 8.341 -33.800 -1.903 1.00 33.01 C ATOM 1082 C GLN A 69 6.858 -33.962 -1.586 1.00 75.02 C ATOM 1083 O GLN A 69 6.140 -34.687 -2.276 1.00 51.30 O ATOM 1084 CB GLN A 69 9.168 -34.740 -1.025 1.00 0.33 C ATOM 1085 CG GLN A 69 9.059 -36.202 -1.426 1.00 72.44 C ATOM 1086 CD GLN A 69 10.281 -36.694 -2.177 1.00 73.44 C ATOM 1087 OE1 GLN A 69 11.414 -36.498 -1.737 1.00 64.41 O ATOM 1088 NE2 GLN A 69 10.057 -37.338 -3.316 1.00 62.15 N ATOM 0 H GLN A 69 9.191 -32.234 -0.799 1.00 2.02 H new ATOM 0 HA GLN A 69 8.500 -34.058 -2.950 1.00 33.01 H new ATOM 0 HB2 GLN A 69 10.214 -34.437 -1.068 1.00 0.33 H new ATOM 0 HB3 GLN A 69 8.847 -34.631 0.011 1.00 0.33 H new ATOM 0 HG2 GLN A 69 8.917 -36.810 -0.533 1.00 72.44 H new ATOM 0 HG3 GLN A 69 8.175 -36.339 -2.049 1.00 72.44 H new ATOM 0 HE21 GLN A 69 9.101 -37.478 -3.643 1.00 62.15 H new ATOM 0 HE22 GLN A 69 10.841 -37.693 -3.864 1.00 62.15 H new ATOM 1097 N THR A 70 6.405 -33.283 -0.538 1.00 3.14 N ATOM 1098 CA THR A 70 5.007 -33.352 -0.128 1.00 22.31 C ATOM 1099 C THR A 70 4.214 -32.173 -0.679 1.00 24.53 C ATOM 1100 O THR A 70 3.251 -31.718 -0.063 1.00 13.34 O ATOM 1101 CB THR A 70 4.873 -33.375 1.406 1.00 44.23 C ATOM 1102 OG1 THR A 70 5.390 -32.161 1.962 1.00 30.51 O ATOM 1103 CG2 THR A 70 5.612 -34.565 1.997 1.00 53.50 C ATOM 0 H THR A 70 6.985 -32.678 0.043 1.00 3.14 H new ATOM 0 HA THR A 70 4.603 -34.279 -0.535 1.00 22.31 H new ATOM 0 HB THR A 70 3.815 -33.466 1.654 1.00 44.23 H new ATOM 0 HG1 THR A 70 5.299 -32.183 2.938 1.00 30.51 H new ATOM 0 HG21 THR A 70 5.503 -34.559 3.081 1.00 53.50 H new ATOM 0 HG22 THR A 70 5.195 -35.488 1.595 1.00 53.50 H new ATOM 0 HG23 THR A 70 6.669 -34.502 1.739 1.00 53.50 H new ATOM 1111 N GLY A 71 4.623 -31.682 -1.845 1.00 55.11 N ATOM 1112 CA GLY A 71 3.938 -30.561 -2.460 1.00 21.50 C ATOM 1113 C GLY A 71 3.159 -30.963 -3.696 1.00 54.21 C ATOM 1114 O GLY A 71 3.126 -32.138 -4.062 1.00 14.21 O ATOM 0 H GLY A 71 5.417 -32.041 -2.375 1.00 55.11 H new ATOM 0 HA2 GLY A 71 3.258 -30.114 -1.735 1.00 21.50 H new ATOM 0 HA3 GLY A 71 4.667 -29.796 -2.727 1.00 21.50 H new ATOM 1118 N SER A 72 2.530 -29.987 -4.342 1.00 2.31 N ATOM 1119 CA SER A 72 1.742 -30.247 -5.541 1.00 44.01 C ATOM 1120 C SER A 72 2.371 -29.578 -6.759 1.00 70.15 C ATOM 1121 O SER A 72 3.422 -28.947 -6.659 1.00 24.23 O ATOM 1122 CB SER A 72 0.309 -29.747 -5.354 1.00 42.15 C ATOM 1123 OG SER A 72 0.241 -28.336 -5.467 1.00 72.54 O ATOM 0 H SER A 72 2.551 -29.008 -4.055 1.00 2.31 H new ATOM 0 HA SER A 72 1.724 -31.324 -5.708 1.00 44.01 H new ATOM 0 HB2 SER A 72 -0.340 -30.206 -6.100 1.00 42.15 H new ATOM 0 HB3 SER A 72 -0.062 -30.055 -4.376 1.00 42.15 H new ATOM 0 HG SER A 72 -0.686 -28.042 -5.345 1.00 72.54 H new ATOM 1129 N GLU A 73 1.720 -29.724 -7.909 1.00 41.02 N ATOM 1130 CA GLU A 73 2.216 -29.134 -9.147 1.00 12.50 C ATOM 1131 C GLU A 73 2.455 -27.636 -8.979 1.00 53.13 C ATOM 1132 O GLU A 73 3.440 -27.096 -9.481 1.00 62.15 O ATOM 1133 CB GLU A 73 1.224 -29.379 -10.287 1.00 20.52 C ATOM 1134 CG GLU A 73 0.922 -30.849 -10.526 1.00 33.12 C ATOM 1135 CD GLU A 73 0.744 -31.175 -11.996 1.00 51.23 C ATOM 1136 OE1 GLU A 73 1.765 -31.366 -12.691 1.00 2.32 O1- ATOM 1137 OE2 GLU A 73 -0.417 -31.242 -12.452 1.00 14.30 O ATOM 0 H GLU A 73 0.849 -30.245 -8.009 1.00 41.02 H new ATOM 0 HA GLU A 73 3.166 -29.610 -9.392 1.00 12.50 H new ATOM 0 HB2 GLU A 73 0.293 -28.857 -10.066 1.00 20.52 H new ATOM 0 HB3 GLU A 73 1.623 -28.945 -11.204 1.00 20.52 H new ATOM 0 HG2 GLU A 73 1.732 -31.454 -10.119 1.00 33.12 H new ATOM 0 HG3 GLU A 73 0.017 -31.123 -9.984 1.00 33.12 H new ATOM 1144 N GLU A 74 1.547 -26.974 -8.269 1.00 62.14 N ATOM 1145 CA GLU A 74 1.659 -25.539 -8.037 1.00 31.41 C ATOM 1146 C GLU A 74 2.903 -25.216 -7.215 1.00 34.12 C ATOM 1147 O GLU A 74 3.698 -24.350 -7.584 1.00 13.34 O ATOM 1148 CB GLU A 74 0.412 -25.017 -7.321 1.00 14.10 C ATOM 1149 CG GLU A 74 -0.837 -25.029 -8.186 1.00 61.32 C ATOM 1150 CD GLU A 74 -1.660 -23.765 -8.040 1.00 2.42 C ATOM 1151 OE1 GLU A 74 -2.489 -23.701 -7.107 1.00 53.14 O ATOM 1152 OE2 GLU A 74 -1.477 -22.839 -8.857 1.00 24.50 O1- ATOM 0 H GLU A 74 0.727 -27.408 -7.845 1.00 62.14 H new ATOM 0 HA GLU A 74 1.746 -25.046 -9.005 1.00 31.41 H new ATOM 0 HB2 GLU A 74 0.234 -25.622 -6.432 1.00 14.10 H new ATOM 0 HB3 GLU A 74 0.598 -23.998 -6.981 1.00 14.10 H new ATOM 0 HG2 GLU A 74 -0.550 -25.152 -9.230 1.00 61.32 H new ATOM 0 HG3 GLU A 74 -1.450 -25.890 -7.920 1.00 61.32 H new ATOM 1159 N LEU A 75 3.067 -25.919 -6.099 1.00 52.21 N ATOM 1160 CA LEU A 75 4.214 -25.708 -5.223 1.00 74.04 C ATOM 1161 C LEU A 75 5.522 -25.834 -5.999 1.00 1.33 C ATOM 1162 O LEU A 75 6.463 -25.072 -5.774 1.00 72.13 O ATOM 1163 CB LEU A 75 4.193 -26.715 -4.072 1.00 43.32 C ATOM 1164 CG LEU A 75 5.374 -26.652 -3.103 1.00 13.13 C ATOM 1165 CD1 LEU A 75 4.924 -26.989 -1.690 1.00 1.01 C ATOM 1166 CD2 LEU A 75 6.482 -27.595 -3.550 1.00 64.53 C ATOM 0 H LEU A 75 2.420 -26.640 -5.780 1.00 52.21 H new ATOM 0 HA LEU A 75 4.149 -24.699 -4.817 1.00 74.04 H new ATOM 0 HB2 LEU A 75 3.275 -26.568 -3.504 1.00 43.32 H new ATOM 0 HB3 LEU A 75 4.149 -27.719 -4.495 1.00 43.32 H new ATOM 0 HG LEU A 75 5.766 -25.635 -3.105 1.00 13.13 H new ATOM 0 HD11 LEU A 75 5.778 -26.939 -1.015 1.00 1.01 H new ATOM 0 HD12 LEU A 75 4.166 -26.275 -1.370 1.00 1.01 H new ATOM 0 HD13 LEU A 75 4.505 -27.995 -1.672 1.00 1.01 H new ATOM 0 HD21 LEU A 75 7.314 -27.537 -2.849 1.00 64.53 H new ATOM 0 HD22 LEU A 75 6.102 -28.616 -3.578 1.00 64.53 H new ATOM 0 HD23 LEU A 75 6.825 -27.308 -4.544 1.00 64.53 H new ATOM 1178 N ARG A 76 5.571 -26.797 -6.913 1.00 11.15 N ATOM 1179 CA ARG A 76 6.763 -27.021 -7.722 1.00 0.11 C ATOM 1180 C ARG A 76 7.100 -25.783 -8.548 1.00 23.22 C ATOM 1181 O ARG A 76 8.197 -25.234 -8.444 1.00 1.33 O ATOM 1182 CB ARG A 76 6.560 -28.223 -8.646 1.00 0.32 C ATOM 1183 CG ARG A 76 7.074 -29.530 -8.066 1.00 62.13 C ATOM 1184 CD ARG A 76 6.436 -30.731 -8.747 1.00 64.22 C ATOM 1185 NE ARG A 76 7.347 -31.871 -8.814 1.00 25.35 N ATOM 1186 CZ ARG A 76 8.364 -31.950 -9.665 1.00 5.30 C ATOM 1187 NH1 ARG A 76 8.598 -30.961 -10.516 1.00 13.12 N1+ ATOM 1188 NH2 ARG A 76 9.148 -33.020 -9.664 1.00 50.21 N ATOM 0 H ARG A 76 4.800 -27.434 -7.112 1.00 11.15 H new ATOM 0 HA ARG A 76 7.595 -27.225 -7.048 1.00 0.11 H new ATOM 0 HB2 ARG A 76 5.497 -28.326 -8.866 1.00 0.32 H new ATOM 0 HB3 ARG A 76 7.065 -28.032 -9.593 1.00 0.32 H new ATOM 0 HG2 ARG A 76 8.157 -29.579 -8.180 1.00 62.13 H new ATOM 0 HG3 ARG A 76 6.864 -29.562 -6.997 1.00 62.13 H new ATOM 0 HD2 ARG A 76 5.535 -31.019 -8.205 1.00 64.22 H new ATOM 0 HD3 ARG A 76 6.127 -30.454 -9.755 1.00 64.22 H new ATOM 0 HE ARG A 76 7.194 -32.649 -8.172 1.00 25.35 H new ATOM 0 HH11 ARG A 76 7.997 -30.137 -10.518 1.00 13.12 H new ATOM 0 HH12 ARG A 76 9.379 -31.024 -11.169 1.00 13.12 H new ATOM 0 HH21 ARG A 76 8.970 -33.782 -9.010 1.00 50.21 H new ATOM 0 HH22 ARG A 76 9.929 -33.081 -10.317 1.00 50.21 H new ATOM 1202 N SER A 77 6.149 -25.348 -9.368 1.00 2.40 N ATOM 1203 CA SER A 77 6.346 -24.177 -10.215 1.00 43.20 C ATOM 1204 C SER A 77 6.779 -22.973 -9.384 1.00 63.41 C ATOM 1205 O SER A 77 7.615 -22.176 -9.814 1.00 54.43 O ATOM 1206 CB SER A 77 5.060 -23.849 -10.976 1.00 42.15 C ATOM 1207 OG SER A 77 3.990 -24.675 -10.549 1.00 4.11 O ATOM 0 H SER A 77 5.234 -25.789 -9.464 1.00 2.40 H new ATOM 0 HA SER A 77 7.135 -24.406 -10.931 1.00 43.20 H new ATOM 0 HB2 SER A 77 4.799 -22.802 -10.822 1.00 42.15 H new ATOM 0 HB3 SER A 77 5.222 -23.983 -12.046 1.00 42.15 H new ATOM 0 HG SER A 77 3.813 -24.516 -9.598 1.00 4.11 H new ATOM 1213 N LEU A 78 6.204 -22.845 -8.194 1.00 0.31 N ATOM 1214 CA LEU A 78 6.529 -21.739 -7.301 1.00 21.32 C ATOM 1215 C LEU A 78 8.018 -21.729 -6.966 1.00 2.41 C ATOM 1216 O LEU A 78 8.717 -20.750 -7.227 1.00 40.24 O ATOM 1217 CB LEU A 78 5.706 -21.834 -6.015 1.00 60.24 C ATOM 1218 CG LEU A 78 4.533 -20.861 -5.895 1.00 61.01 C ATOM 1219 CD1 LEU A 78 5.021 -19.424 -5.995 1.00 3.02 C ATOM 1220 CD2 LEU A 78 3.490 -21.147 -6.967 1.00 14.43 C ATOM 0 H LEU A 78 5.509 -23.494 -7.825 1.00 0.31 H new ATOM 0 HA LEU A 78 6.284 -20.808 -7.813 1.00 21.32 H new ATOM 0 HB2 LEU A 78 5.320 -22.850 -5.929 1.00 60.24 H new ATOM 0 HB3 LEU A 78 6.373 -21.674 -5.168 1.00 60.24 H new ATOM 0 HG LEU A 78 4.069 -21.000 -4.919 1.00 61.01 H new ATOM 0 HD11 LEU A 78 4.173 -18.745 -5.908 1.00 3.02 H new ATOM 0 HD12 LEU A 78 5.730 -19.224 -5.192 1.00 3.02 H new ATOM 0 HD13 LEU A 78 5.510 -19.272 -6.957 1.00 3.02 H new ATOM 0 HD21 LEU A 78 2.663 -20.445 -6.866 1.00 14.43 H new ATOM 0 HD22 LEU A 78 3.942 -21.036 -7.953 1.00 14.43 H new ATOM 0 HD23 LEU A 78 3.118 -22.165 -6.850 1.00 14.43 H new ATOM 1232 N TYR A 79 8.495 -22.825 -6.388 1.00 13.40 N ATOM 1233 CA TYR A 79 9.900 -22.944 -6.016 1.00 23.11 C ATOM 1234 C TYR A 79 10.806 -22.622 -7.202 1.00 0.31 C ATOM 1235 O TYR A 79 11.923 -22.138 -7.030 1.00 3.34 O ATOM 1236 CB TYR A 79 10.196 -24.353 -5.501 1.00 12.02 C ATOM 1237 CG TYR A 79 11.517 -24.466 -4.773 1.00 23.32 C ATOM 1238 CD1 TYR A 79 11.704 -23.862 -3.535 1.00 62.21 C ATOM 1239 CD2 TYR A 79 12.577 -25.176 -5.322 1.00 33.45 C ATOM 1240 CE1 TYR A 79 12.908 -23.962 -2.866 1.00 72.42 C ATOM 1241 CE2 TYR A 79 13.785 -25.282 -4.660 1.00 12.20 C ATOM 1242 CZ TYR A 79 13.946 -24.674 -3.432 1.00 62.14 C ATOM 1243 OH TYR A 79 15.148 -24.777 -2.771 1.00 2.53 O ATOM 0 H TYR A 79 7.929 -23.644 -6.167 1.00 13.40 H new ATOM 0 HA TYR A 79 10.102 -22.225 -5.222 1.00 23.11 H new ATOM 0 HB2 TYR A 79 9.394 -24.662 -4.831 1.00 12.02 H new ATOM 0 HB3 TYR A 79 10.194 -25.046 -6.342 1.00 12.02 H new ATOM 0 HD1 TYR A 79 10.894 -23.305 -3.089 1.00 62.21 H new ATOM 0 HD2 TYR A 79 12.455 -25.653 -6.283 1.00 33.45 H new ATOM 0 HE1 TYR A 79 13.037 -23.486 -1.905 1.00 72.42 H new ATOM 0 HE2 TYR A 79 14.599 -25.838 -5.101 1.00 12.20 H new ATOM 0 HH TYR A 79 15.771 -25.312 -3.306 1.00 2.53 H new ATOM 1253 N ASN A 80 10.313 -22.896 -8.405 1.00 71.13 N ATOM 1254 CA ASN A 80 11.077 -22.637 -9.621 1.00 10.42 C ATOM 1255 C ASN A 80 11.215 -21.138 -9.867 1.00 22.13 C ATOM 1256 O ASN A 80 12.324 -20.613 -9.969 1.00 73.30 O ATOM 1257 CB ASN A 80 10.403 -23.302 -10.822 1.00 73.04 C ATOM 1258 CG ASN A 80 11.114 -24.571 -11.253 1.00 53.33 C ATOM 1259 OD1 ASN A 80 11.612 -25.330 -10.422 1.00 32.10 O ATOM 1260 ND2 ASN A 80 11.163 -24.807 -12.559 1.00 50.42 N ATOM 0 H ASN A 80 9.389 -23.297 -8.565 1.00 71.13 H new ATOM 0 HA ASN A 80 12.073 -23.059 -9.492 1.00 10.42 H new ATOM 0 HB2 ASN A 80 9.368 -23.535 -10.572 1.00 73.04 H new ATOM 0 HB3 ASN A 80 10.379 -22.601 -11.656 1.00 73.04 H new ATOM 0 HD21 ASN A 80 11.627 -25.645 -12.909 1.00 50.42 H new ATOM 0 HD22 ASN A 80 10.736 -24.150 -13.212 1.00 50.42 H new ATOM 1267 N THR A 81 10.080 -20.452 -9.961 1.00 3.43 N ATOM 1268 CA THR A 81 10.074 -19.013 -10.195 1.00 43.33 C ATOM 1269 C THR A 81 10.725 -18.265 -9.038 1.00 33.42 C ATOM 1270 O THR A 81 11.647 -17.473 -9.239 1.00 5.54 O ATOM 1271 CB THR A 81 8.641 -18.483 -10.393 1.00 22.25 C ATOM 1272 OG1 THR A 81 7.988 -19.214 -11.436 1.00 72.42 O ATOM 1273 CG2 THR A 81 8.655 -17.001 -10.737 1.00 53.12 C ATOM 0 H THR A 81 9.153 -20.870 -9.879 1.00 3.43 H new ATOM 0 HA THR A 81 10.648 -18.838 -11.105 1.00 43.33 H new ATOM 0 HB THR A 81 8.095 -18.618 -9.459 1.00 22.25 H new ATOM 0 HG1 THR A 81 7.077 -18.872 -11.554 1.00 72.42 H new ATOM 0 HG21 THR A 81 7.632 -16.649 -10.872 1.00 53.12 H new ATOM 0 HG22 THR A 81 9.126 -16.444 -9.927 1.00 53.12 H new ATOM 0 HG23 THR A 81 9.217 -16.847 -11.658 1.00 53.12 H new ATOM 1281 N ILE A 82 10.242 -18.520 -7.826 1.00 61.04 N ATOM 1282 CA ILE A 82 10.779 -17.872 -6.637 1.00 32.41 C ATOM 1283 C ILE A 82 12.295 -18.024 -6.565 1.00 60.13 C ATOM 1284 O ILE A 82 12.990 -17.166 -6.023 1.00 33.44 O ATOM 1285 CB ILE A 82 10.156 -18.446 -5.352 1.00 44.21 C ATOM 1286 CG1 ILE A 82 8.635 -18.278 -5.378 1.00 53.44 C ATOM 1287 CG2 ILE A 82 10.747 -17.767 -4.126 1.00 24.44 C ATOM 1288 CD1 ILE A 82 7.911 -19.175 -4.399 1.00 14.41 C ATOM 0 H ILE A 82 9.479 -19.172 -7.643 1.00 61.04 H new ATOM 0 HA ILE A 82 10.525 -16.815 -6.713 1.00 32.41 H new ATOM 0 HB ILE A 82 10.386 -19.510 -5.299 1.00 44.21 H new ATOM 0 HG12 ILE A 82 8.389 -17.239 -5.157 1.00 53.44 H new ATOM 0 HG13 ILE A 82 8.272 -18.485 -6.385 1.00 53.44 H new ATOM 0 HG21 ILE A 82 10.296 -18.184 -3.226 1.00 24.44 H new ATOM 0 HG22 ILE A 82 11.824 -17.932 -4.102 1.00 24.44 H new ATOM 0 HG23 ILE A 82 10.545 -16.697 -4.170 1.00 24.44 H new ATOM 0 HD11 ILE A 82 6.837 -19.002 -4.472 1.00 14.41 H new ATOM 0 HD12 ILE A 82 8.127 -20.218 -4.632 1.00 14.41 H new ATOM 0 HD13 ILE A 82 8.246 -18.953 -3.386 1.00 14.41 H new ATOM 1300 N ALA A 83 12.801 -19.122 -7.117 1.00 64.14 N ATOM 1301 CA ALA A 83 14.235 -19.386 -7.119 1.00 65.22 C ATOM 1302 C ALA A 83 14.972 -18.399 -8.019 1.00 12.12 C ATOM 1303 O ALA A 83 15.838 -17.654 -7.560 1.00 30.23 O ATOM 1304 CB ALA A 83 14.507 -20.814 -7.565 1.00 13.15 C ATOM 0 H ALA A 83 12.239 -19.843 -7.569 1.00 64.14 H new ATOM 0 HA ALA A 83 14.606 -19.258 -6.102 1.00 65.22 H new ATOM 0 HB1 ALA A 83 15.581 -20.998 -7.562 1.00 13.15 H new ATOM 0 HB2 ALA A 83 14.018 -21.508 -6.881 1.00 13.15 H new ATOM 0 HB3 ALA A 83 14.117 -20.961 -8.572 1.00 13.15 H new ATOM 1310 N VAL A 84 14.624 -18.399 -9.301 1.00 74.24 N ATOM 1311 CA VAL A 84 15.254 -17.504 -10.265 1.00 54.40 C ATOM 1312 C VAL A 84 15.218 -16.060 -9.778 1.00 3.23 C ATOM 1313 O VAL A 84 16.216 -15.342 -9.856 1.00 1.55 O ATOM 1314 CB VAL A 84 14.566 -17.588 -11.640 1.00 25.42 C ATOM 1315 CG1 VAL A 84 15.219 -16.627 -12.622 1.00 64.12 C ATOM 1316 CG2 VAL A 84 14.605 -19.013 -12.171 1.00 15.14 C ATOM 0 H VAL A 84 13.909 -19.009 -9.697 1.00 74.24 H new ATOM 0 HA VAL A 84 16.291 -17.825 -10.366 1.00 54.40 H new ATOM 0 HB VAL A 84 13.522 -17.298 -11.522 1.00 25.42 H new ATOM 0 HG11 VAL A 84 14.720 -16.700 -13.588 1.00 64.12 H new ATOM 0 HG12 VAL A 84 15.133 -15.608 -12.245 1.00 64.12 H new ATOM 0 HG13 VAL A 84 16.272 -16.884 -12.737 1.00 64.12 H new ATOM 0 HG21 VAL A 84 14.114 -19.053 -13.143 1.00 15.14 H new ATOM 0 HG22 VAL A 84 15.641 -19.335 -12.274 1.00 15.14 H new ATOM 0 HG23 VAL A 84 14.088 -19.674 -11.476 1.00 15.14 H new ATOM 1326 N LEU A 85 14.063 -15.640 -9.274 1.00 43.40 N ATOM 1327 CA LEU A 85 13.896 -14.280 -8.772 1.00 22.20 C ATOM 1328 C LEU A 85 14.848 -14.008 -7.612 1.00 24.51 C ATOM 1329 O LEU A 85 15.454 -12.938 -7.531 1.00 51.53 O ATOM 1330 CB LEU A 85 12.452 -14.054 -8.326 1.00 45.31 C ATOM 1331 CG LEU A 85 11.952 -12.609 -8.377 1.00 40.32 C ATOM 1332 CD1 LEU A 85 11.948 -12.096 -9.808 1.00 24.41 C ATOM 1333 CD2 LEU A 85 10.561 -12.505 -7.767 1.00 42.03 C ATOM 0 H LEU A 85 13.228 -16.221 -9.202 1.00 43.40 H new ATOM 0 HA LEU A 85 14.132 -13.588 -9.581 1.00 22.20 H new ATOM 0 HB2 LEU A 85 11.800 -14.665 -8.950 1.00 45.31 H new ATOM 0 HB3 LEU A 85 12.347 -14.418 -7.304 1.00 45.31 H new ATOM 0 HG LEU A 85 12.631 -11.988 -7.793 1.00 40.32 H new ATOM 0 HD11 LEU A 85 11.589 -11.067 -9.825 1.00 24.41 H new ATOM 0 HD12 LEU A 85 12.960 -12.134 -10.211 1.00 24.41 H new ATOM 0 HD13 LEU A 85 11.292 -12.719 -10.416 1.00 24.41 H new ATOM 0 HD21 LEU A 85 10.221 -11.470 -7.811 1.00 42.03 H new ATOM 0 HD22 LEU A 85 9.871 -13.138 -8.325 1.00 42.03 H new ATOM 0 HD23 LEU A 85 10.594 -12.832 -6.728 1.00 42.03 H new ATOM 1345 N TYR A 86 14.977 -14.982 -6.718 1.00 25.45 N ATOM 1346 CA TYR A 86 15.855 -14.846 -5.562 1.00 54.32 C ATOM 1347 C TYR A 86 17.285 -14.541 -5.997 1.00 34.03 C ATOM 1348 O TYR A 86 17.868 -13.535 -5.591 1.00 14.35 O ATOM 1349 CB TYR A 86 15.827 -16.124 -4.723 1.00 14.03 C ATOM 1350 CG TYR A 86 16.862 -16.147 -3.620 1.00 34.40 C ATOM 1351 CD1 TYR A 86 16.869 -15.176 -2.626 1.00 64.24 C ATOM 1352 CD2 TYR A 86 17.833 -17.140 -3.572 1.00 51.50 C ATOM 1353 CE1 TYR A 86 17.813 -15.193 -1.618 1.00 1.42 C ATOM 1354 CE2 TYR A 86 18.780 -17.166 -2.566 1.00 22.44 C ATOM 1355 CZ TYR A 86 18.766 -16.189 -1.592 1.00 14.41 C ATOM 1356 OH TYR A 86 19.708 -16.210 -0.588 1.00 64.02 O ATOM 0 H TYR A 86 14.485 -15.874 -6.772 1.00 25.45 H new ATOM 0 HA TYR A 86 15.493 -14.014 -4.958 1.00 54.32 H new ATOM 0 HB2 TYR A 86 14.836 -16.238 -4.283 1.00 14.03 H new ATOM 0 HB3 TYR A 86 15.986 -16.982 -5.377 1.00 14.03 H new ATOM 0 HD1 TYR A 86 16.124 -14.395 -2.642 1.00 64.24 H new ATOM 0 HD2 TYR A 86 17.848 -17.905 -4.334 1.00 51.50 H new ATOM 0 HE1 TYR A 86 17.805 -14.430 -0.854 1.00 1.42 H new ATOM 0 HE2 TYR A 86 19.526 -17.946 -2.542 1.00 22.44 H new ATOM 0 HH TYR A 86 20.564 -15.883 -0.936 1.00 64.02 H new ATOM 1366 N CYS A 87 17.844 -15.416 -6.826 1.00 23.43 N ATOM 1367 CA CYS A 87 19.206 -15.241 -7.318 1.00 14.13 C ATOM 1368 C CYS A 87 19.394 -13.851 -7.917 1.00 53.21 C ATOM 1369 O CYS A 87 20.447 -13.233 -7.760 1.00 13.45 O ATOM 1370 CB CYS A 87 19.534 -16.308 -8.362 1.00 52.31 C ATOM 1371 SG CYS A 87 20.268 -17.812 -7.676 1.00 11.31 S ATOM 0 H CYS A 87 17.375 -16.253 -7.171 1.00 23.43 H new ATOM 0 HA CYS A 87 19.887 -15.348 -6.474 1.00 14.13 H new ATOM 0 HB2 CYS A 87 18.621 -16.573 -8.895 1.00 52.31 H new ATOM 0 HB3 CYS A 87 20.219 -15.884 -9.096 1.00 52.31 H new ATOM 0 HG CYS A 87 21.058 -18.350 -8.557 1.00 11.31 H new ATOM 1377 N VAL A 88 18.366 -13.366 -8.606 1.00 33.40 N ATOM 1378 CA VAL A 88 18.418 -12.049 -9.230 1.00 50.40 C ATOM 1379 C VAL A 88 18.601 -10.952 -8.186 1.00 73.25 C ATOM 1380 O VAL A 88 19.311 -9.973 -8.416 1.00 74.24 O ATOM 1381 CB VAL A 88 17.140 -11.762 -10.041 1.00 34.51 C ATOM 1382 CG1 VAL A 88 17.205 -10.376 -10.666 1.00 33.22 C ATOM 1383 CG2 VAL A 88 16.936 -12.827 -11.108 1.00 51.30 C ATOM 0 H VAL A 88 17.487 -13.865 -8.746 1.00 33.40 H new ATOM 0 HA VAL A 88 19.275 -12.052 -9.904 1.00 50.40 H new ATOM 0 HB VAL A 88 16.286 -11.790 -9.364 1.00 34.51 H new ATOM 0 HG11 VAL A 88 16.294 -10.190 -11.235 1.00 33.22 H new ATOM 0 HG12 VAL A 88 17.301 -9.627 -9.880 1.00 33.22 H new ATOM 0 HG13 VAL A 88 18.067 -10.317 -11.331 1.00 33.22 H new ATOM 0 HG21 VAL A 88 16.029 -12.609 -11.671 1.00 51.30 H new ATOM 0 HG22 VAL A 88 17.791 -12.833 -11.784 1.00 51.30 H new ATOM 0 HG23 VAL A 88 16.842 -13.804 -10.634 1.00 51.30 H new ATOM 1393 N HIS A 89 17.956 -11.124 -7.037 1.00 55.11 N ATOM 1394 CA HIS A 89 18.048 -10.149 -5.955 1.00 55.32 C ATOM 1395 C HIS A 89 19.285 -10.406 -5.098 1.00 70.21 C ATOM 1396 O HIS A 89 19.608 -9.529 -4.297 1.00 34.22 O ATOM 1397 CB HIS A 89 16.793 -10.202 -5.084 1.00 4.30 C ATOM 1398 CG HIS A 89 15.524 -9.980 -5.850 1.00 0.21 C ATOM 1399 ND1 HIS A 89 15.454 -9.190 -6.978 1.00 55.34 N ATOM 1400 CD2 HIS A 89 14.271 -10.450 -5.644 1.00 32.05 C ATOM 1401 CE1 HIS A 89 14.213 -9.184 -7.432 1.00 34.13 C ATOM 1402 NE2 HIS A 89 13.476 -9.942 -6.640 1.00 11.24 N ATOM 0 H HIS A 89 17.364 -11.929 -6.831 1.00 55.11 H new ATOM 0 HA HIS A 89 18.132 -9.157 -6.399 1.00 55.32 H new ATOM 0 HB2 HIS A 89 16.744 -11.172 -4.589 1.00 4.30 H new ATOM 0 HB3 HIS A 89 16.872 -9.448 -4.301 1.00 4.30 H new ATOM 0 HD1 HIS A 89 16.238 -8.689 -7.396 1.00 55.34 H new ATOM 0 HD2 HIS A 89 13.956 -11.104 -4.844 1.00 32.05 H new ATOM 0 HE1 HIS A 89 13.861 -8.650 -8.302 1.00 34.13 H new ATOM 0 HE2 HIS A 89 12.478 -10.121 -6.751 1.00 11.24 H new ATOM 1411 N GLN A 90 19.961 -11.542 -5.242 1.00 2.43 N ATOM 1412 CA GLN A 90 21.147 -11.830 -4.445 1.00 21.04 C ATOM 1413 C GLN A 90 22.418 -11.590 -5.255 1.00 11.42 C ATOM 1414 O GLN A 90 23.459 -12.189 -4.985 1.00 24.32 O ATOM 1415 CB GLN A 90 21.113 -13.274 -3.944 1.00 15.45 C ATOM 1416 CG GLN A 90 21.248 -13.398 -2.434 1.00 21.21 C ATOM 1417 CD GLN A 90 22.422 -14.265 -2.023 1.00 61.01 C ATOM 1418 OE1 GLN A 90 22.244 -15.335 -1.440 1.00 40.25 O ATOM 1419 NE2 GLN A 90 23.631 -13.806 -2.324 1.00 51.04 N ATOM 0 H GLN A 90 19.708 -12.277 -5.903 1.00 2.43 H new ATOM 0 HA GLN A 90 21.151 -11.156 -3.588 1.00 21.04 H new ATOM 0 HB2 GLN A 90 20.176 -13.736 -4.256 1.00 15.45 H new ATOM 0 HB3 GLN A 90 21.918 -13.834 -4.420 1.00 15.45 H new ATOM 0 HG2 GLN A 90 21.365 -12.405 -2.001 1.00 21.21 H new ATOM 0 HG3 GLN A 90 20.330 -13.818 -2.024 1.00 21.21 H new ATOM 0 HE21 GLN A 90 23.732 -12.914 -2.808 1.00 51.04 H new ATOM 0 HE22 GLN A 90 24.459 -14.346 -2.071 1.00 51.04 H new ATOM 1428 N ARG A 91 22.324 -10.710 -6.247 1.00 2.41 N ATOM 1429 CA ARG A 91 23.466 -10.393 -7.096 1.00 60.22 C ATOM 1430 C ARG A 91 23.988 -11.645 -7.795 1.00 23.21 C ATOM 1431 O ARG A 91 25.195 -11.805 -7.981 1.00 62.24 O ATOM 1432 CB ARG A 91 24.583 -9.754 -6.269 1.00 1.21 C ATOM 1433 CG ARG A 91 24.160 -8.480 -5.557 1.00 12.42 C ATOM 1434 CD ARG A 91 25.360 -7.613 -5.207 1.00 1.32 C ATOM 1435 NE ARG A 91 25.135 -6.830 -3.995 1.00 20.23 N ATOM 1436 CZ ARG A 91 26.052 -6.037 -3.451 1.00 73.34 C ATOM 1437 NH1 ARG A 91 27.249 -5.924 -4.009 1.00 11.14 N1+ ATOM 1438 NH2 ARG A 91 25.771 -5.356 -2.348 1.00 23.33 N ATOM 0 H ARG A 91 21.470 -10.205 -6.482 1.00 2.41 H new ATOM 0 HA ARG A 91 23.136 -9.684 -7.856 1.00 60.22 H new ATOM 0 HB2 ARG A 91 24.934 -10.474 -5.530 1.00 1.21 H new ATOM 0 HB3 ARG A 91 25.426 -9.532 -6.923 1.00 1.21 H new ATOM 0 HG2 ARG A 91 23.476 -7.917 -6.192 1.00 12.42 H new ATOM 0 HG3 ARG A 91 23.615 -8.734 -4.648 1.00 12.42 H new ATOM 0 HD2 ARG A 91 26.237 -8.246 -5.072 1.00 1.32 H new ATOM 0 HD3 ARG A 91 25.576 -6.941 -6.038 1.00 1.32 H new ATOM 0 HE ARG A 91 24.224 -6.895 -3.541 1.00 20.23 H new ATOM 0 HH11 ARG A 91 27.468 -6.446 -4.857 1.00 11.14 H new ATOM 0 HH12 ARG A 91 27.952 -5.315 -3.590 1.00 11.14 H new ATOM 0 HH21 ARG A 91 24.851 -5.441 -1.917 1.00 23.33 H new ATOM 0 HH22 ARG A 91 26.475 -4.747 -1.931 1.00 23.33 H new ATOM 1452 N ILE A 92 23.072 -12.528 -8.178 1.00 1.43 N ATOM 1453 CA ILE A 92 23.440 -13.764 -8.856 1.00 75.21 C ATOM 1454 C ILE A 92 22.928 -13.778 -10.292 1.00 2.33 C ATOM 1455 O ILE A 92 21.858 -13.242 -10.585 1.00 11.45 O ATOM 1456 CB ILE A 92 22.891 -14.999 -8.115 1.00 23.02 C ATOM 1457 CG1 ILE A 92 23.225 -14.916 -6.624 1.00 21.42 C ATOM 1458 CG2 ILE A 92 23.457 -16.274 -8.720 1.00 12.31 C ATOM 1459 CD1 ILE A 92 22.703 -16.087 -5.822 1.00 10.14 C ATOM 0 H ILE A 92 22.070 -12.410 -8.030 1.00 1.43 H new ATOM 0 HA ILE A 92 24.529 -13.808 -8.861 1.00 75.21 H new ATOM 0 HB ILE A 92 21.807 -15.018 -8.225 1.00 23.02 H new ATOM 0 HG12 ILE A 92 24.307 -14.858 -6.505 1.00 21.42 H new ATOM 0 HG13 ILE A 92 22.810 -13.994 -6.218 1.00 21.42 H new ATOM 0 HG21 ILE A 92 23.060 -17.137 -8.186 1.00 12.31 H new ATOM 0 HG22 ILE A 92 23.173 -16.335 -9.771 1.00 12.31 H new ATOM 0 HG23 ILE A 92 24.544 -16.265 -8.638 1.00 12.31 H new ATOM 0 HD11 ILE A 92 22.977 -15.961 -4.774 1.00 10.14 H new ATOM 0 HD12 ILE A 92 21.618 -16.134 -5.911 1.00 10.14 H new ATOM 0 HD13 ILE A 92 23.138 -17.011 -6.202 1.00 10.14 H new ATOM 1471 N ASP A 93 23.696 -14.395 -11.183 1.00 3.45 N ATOM 1472 CA ASP A 93 23.318 -14.481 -12.588 1.00 42.14 C ATOM 1473 C ASP A 93 23.281 -15.934 -13.053 1.00 40.22 C ATOM 1474 O ASP A 93 24.266 -16.662 -12.930 1.00 3.22 O ATOM 1475 CB ASP A 93 24.296 -13.682 -13.452 1.00 23.13 C ATOM 1476 CG ASP A 93 24.671 -12.354 -12.823 1.00 45.30 C ATOM 1477 OD1 ASP A 93 23.754 -11.615 -12.409 1.00 11.24 O1- ATOM 1478 OD2 ASP A 93 25.880 -12.053 -12.747 1.00 55.14 O ATOM 0 H ASP A 93 24.584 -14.843 -10.957 1.00 3.45 H new ATOM 0 HA ASP A 93 22.320 -14.057 -12.696 1.00 42.14 H new ATOM 0 HB2 ASP A 93 25.198 -14.272 -13.615 1.00 23.13 H new ATOM 0 HB3 ASP A 93 23.850 -13.504 -14.431 1.00 23.13 H new ATOM 1483 N VAL A 94 22.136 -16.350 -13.587 1.00 24.43 N ATOM 1484 CA VAL A 94 21.970 -17.715 -14.070 1.00 63.02 C ATOM 1485 C VAL A 94 21.411 -17.732 -15.489 1.00 44.41 C ATOM 1486 O VAL A 94 21.196 -16.683 -16.095 1.00 61.25 O ATOM 1487 CB VAL A 94 21.036 -18.526 -13.152 1.00 65.02 C ATOM 1488 CG1 VAL A 94 21.638 -18.660 -11.762 1.00 35.42 C ATOM 1489 CG2 VAL A 94 19.661 -17.878 -13.086 1.00 24.01 C ATOM 0 H VAL A 94 21.311 -15.761 -13.696 1.00 24.43 H new ATOM 0 HA VAL A 94 22.959 -18.174 -14.067 1.00 63.02 H new ATOM 0 HB VAL A 94 20.922 -19.526 -13.570 1.00 65.02 H new ATOM 0 HG11 VAL A 94 20.964 -19.236 -11.128 1.00 35.42 H new ATOM 0 HG12 VAL A 94 22.598 -19.171 -11.829 1.00 35.42 H new ATOM 0 HG13 VAL A 94 21.784 -17.669 -11.331 1.00 35.42 H new ATOM 0 HG21 VAL A 94 19.014 -18.464 -12.433 1.00 24.01 H new ATOM 0 HG22 VAL A 94 19.754 -16.866 -12.692 1.00 24.01 H new ATOM 0 HG23 VAL A 94 19.229 -17.839 -14.086 1.00 24.01 H new ATOM 1499 N LYS A 95 21.176 -18.930 -16.012 1.00 53.41 N ATOM 1500 CA LYS A 95 20.639 -19.087 -17.359 1.00 0.14 C ATOM 1501 C LYS A 95 19.282 -19.782 -17.326 1.00 72.45 C ATOM 1502 O LYS A 95 18.431 -19.542 -18.182 1.00 65.22 O ATOM 1503 CB LYS A 95 21.613 -19.885 -18.229 1.00 50.21 C ATOM 1504 CG LYS A 95 22.236 -19.070 -19.349 1.00 12.22 C ATOM 1505 CD LYS A 95 21.314 -18.982 -20.554 1.00 54.51 C ATOM 1506 CE LYS A 95 21.843 -19.801 -21.721 1.00 61.02 C ATOM 1507 NZ LYS A 95 21.405 -19.245 -23.031 1.00 71.33 N1+ ATOM 0 H LYS A 95 21.349 -19.808 -15.523 1.00 53.41 H new ATOM 0 HA LYS A 95 20.508 -18.094 -17.789 1.00 0.14 H new ATOM 0 HB2 LYS A 95 22.406 -20.286 -17.598 1.00 50.21 H new ATOM 0 HB3 LYS A 95 21.088 -20.737 -18.660 1.00 50.21 H new ATOM 0 HG2 LYS A 95 22.461 -18.066 -18.988 1.00 12.22 H new ATOM 0 HG3 LYS A 95 23.182 -19.522 -19.646 1.00 12.22 H new ATOM 0 HD2 LYS A 95 20.320 -19.337 -20.280 1.00 54.51 H new ATOM 0 HD3 LYS A 95 21.208 -17.940 -20.857 1.00 54.51 H new ATOM 0 HE2 LYS A 95 22.932 -19.826 -21.683 1.00 61.02 H new ATOM 0 HE3 LYS A 95 21.497 -20.830 -21.629 1.00 61.02 H new ATOM 0 HZ1 LYS A 95 21.786 -19.831 -23.801 1.00 71.33 H new ATOM 0 HZ2 LYS A 95 20.366 -19.244 -23.078 1.00 71.33 H new ATOM 0 HZ3 LYS A 95 21.757 -18.271 -23.130 1.00 71.33 H new ATOM 1521 N ASP A 96 19.087 -20.644 -16.334 1.00 32.31 N ATOM 1522 CA ASP A 96 17.833 -21.372 -16.189 1.00 60.10 C ATOM 1523 C ASP A 96 17.432 -21.476 -14.721 1.00 51.51 C ATOM 1524 O ASP A 96 18.122 -20.964 -13.839 1.00 21.30 O ATOM 1525 CB ASP A 96 17.956 -22.770 -16.798 1.00 10.22 C ATOM 1526 CG ASP A 96 19.237 -23.469 -16.386 1.00 62.42 C ATOM 1527 OD1 ASP A 96 19.242 -24.122 -15.322 1.00 52.30 O ATOM 1528 OD2 ASP A 96 20.235 -23.363 -17.130 1.00 55.22 O1- ATOM 0 H ASP A 96 19.782 -20.855 -15.618 1.00 32.31 H new ATOM 0 HA ASP A 96 17.058 -20.820 -16.721 1.00 60.10 H new ATOM 0 HB2 ASP A 96 17.101 -23.373 -16.492 1.00 10.22 H new ATOM 0 HB3 ASP A 96 17.920 -22.694 -17.885 1.00 10.22 H new ATOM 1533 N THR A 97 16.310 -22.142 -14.465 1.00 54.44 N ATOM 1534 CA THR A 97 15.815 -22.313 -13.105 1.00 11.13 C ATOM 1535 C THR A 97 16.643 -23.342 -12.343 1.00 43.50 C ATOM 1536 O THR A 97 16.731 -23.298 -11.115 1.00 62.52 O ATOM 1537 CB THR A 97 14.338 -22.750 -13.094 1.00 22.54 C ATOM 1538 OG1 THR A 97 13.542 -21.801 -13.814 1.00 51.33 O ATOM 1539 CG2 THR A 97 13.820 -22.875 -11.670 1.00 32.23 C ATOM 0 H THR A 97 15.727 -22.572 -15.183 1.00 54.44 H new ATOM 0 HA THR A 97 15.903 -21.344 -12.614 1.00 11.13 H new ATOM 0 HB THR A 97 14.267 -23.725 -13.576 1.00 22.54 H new ATOM 0 HG1 THR A 97 13.934 -21.650 -14.699 1.00 51.33 H new ATOM 0 HG21 THR A 97 12.775 -23.185 -11.689 1.00 32.23 H new ATOM 0 HG22 THR A 97 14.409 -23.618 -11.132 1.00 32.23 H new ATOM 0 HG23 THR A 97 13.904 -21.912 -11.166 1.00 32.23 H new ATOM 1547 N LYS A 98 17.247 -24.269 -13.078 1.00 32.33 N ATOM 1548 CA LYS A 98 18.071 -25.309 -12.473 1.00 43.24 C ATOM 1549 C LYS A 98 19.363 -24.724 -11.913 1.00 32.50 C ATOM 1550 O LYS A 98 19.774 -25.053 -10.802 1.00 14.20 O ATOM 1551 CB LYS A 98 18.393 -26.396 -13.501 1.00 1.12 C ATOM 1552 CG LYS A 98 18.555 -27.778 -12.894 1.00 35.01 C ATOM 1553 CD LYS A 98 17.209 -28.424 -12.609 1.00 24.33 C ATOM 1554 CE LYS A 98 17.089 -28.841 -11.152 1.00 13.34 C ATOM 1555 NZ LYS A 98 15.668 -29.009 -10.738 1.00 55.21 N1+ ATOM 0 H LYS A 98 17.181 -24.322 -14.095 1.00 32.33 H new ATOM 0 HA LYS A 98 17.508 -25.751 -11.651 1.00 43.24 H new ATOM 0 HB2 LYS A 98 17.598 -26.427 -14.246 1.00 1.12 H new ATOM 0 HB3 LYS A 98 19.311 -26.129 -14.025 1.00 1.12 H new ATOM 0 HG2 LYS A 98 19.126 -28.410 -13.574 1.00 35.01 H new ATOM 0 HG3 LYS A 98 19.128 -27.705 -11.969 1.00 35.01 H new ATOM 0 HD2 LYS A 98 16.409 -27.726 -12.856 1.00 24.33 H new ATOM 0 HD3 LYS A 98 17.080 -29.296 -13.250 1.00 24.33 H new ATOM 0 HE2 LYS A 98 17.625 -29.777 -10.997 1.00 13.34 H new ATOM 0 HE3 LYS A 98 17.565 -28.092 -10.519 1.00 13.34 H new ATOM 0 HZ1 LYS A 98 15.629 -29.294 -9.738 1.00 55.21 H new ATOM 0 HZ2 LYS A 98 15.162 -28.109 -10.862 1.00 55.21 H new ATOM 0 HZ3 LYS A 98 15.220 -29.742 -11.324 1.00 55.21 H new ATOM 1569 N GLU A 99 19.999 -23.852 -12.692 1.00 41.41 N ATOM 1570 CA GLU A 99 21.244 -23.221 -12.272 1.00 12.02 C ATOM 1571 C GLU A 99 21.077 -22.533 -10.921 1.00 3.32 C ATOM 1572 O GLU A 99 21.864 -22.750 -10.000 1.00 11.10 O ATOM 1573 CB GLU A 99 21.706 -22.207 -13.320 1.00 22.13 C ATOM 1574 CG GLU A 99 22.507 -22.825 -14.454 1.00 64.21 C ATOM 1575 CD GLU A 99 23.594 -21.903 -14.971 1.00 0.54 C ATOM 1576 OE1 GLU A 99 23.319 -20.696 -15.134 1.00 24.22 O ATOM 1577 OE2 GLU A 99 24.719 -22.388 -15.211 1.00 1.21 O1- ATOM 0 H GLU A 99 19.672 -23.568 -13.615 1.00 41.41 H new ATOM 0 HA GLU A 99 22.000 -24.000 -12.172 1.00 12.02 H new ATOM 0 HB2 GLU A 99 20.833 -21.703 -13.735 1.00 22.13 H new ATOM 0 HB3 GLU A 99 22.312 -21.444 -12.832 1.00 22.13 H new ATOM 0 HG2 GLU A 99 22.958 -23.755 -14.110 1.00 64.21 H new ATOM 0 HG3 GLU A 99 21.834 -23.081 -15.272 1.00 64.21 H new ATOM 1584 N ALA A 100 20.047 -21.701 -10.810 1.00 44.24 N ATOM 1585 CA ALA A 100 19.774 -20.982 -9.572 1.00 24.33 C ATOM 1586 C ALA A 100 19.457 -21.947 -8.435 1.00 11.21 C ATOM 1587 O ALA A 100 19.714 -21.653 -7.267 1.00 33.43 O ATOM 1588 CB ALA A 100 18.627 -20.003 -9.772 1.00 42.42 C ATOM 0 H ALA A 100 19.387 -21.508 -11.564 1.00 44.24 H new ATOM 0 HA ALA A 100 20.670 -20.424 -9.300 1.00 24.33 H new ATOM 0 HB1 ALA A 100 18.434 -19.473 -8.839 1.00 42.42 H new ATOM 0 HB2 ALA A 100 18.892 -19.286 -10.549 1.00 42.42 H new ATOM 0 HB3 ALA A 100 17.732 -20.548 -10.072 1.00 42.42 H new ATOM 1594 N LEU A 101 18.895 -23.099 -8.783 1.00 14.55 N ATOM 1595 CA LEU A 101 18.542 -24.108 -7.790 1.00 72.33 C ATOM 1596 C LEU A 101 19.789 -24.652 -7.098 1.00 64.23 C ATOM 1597 O LEU A 101 19.803 -24.839 -5.881 1.00 34.22 O ATOM 1598 CB LEU A 101 17.771 -25.253 -8.450 1.00 32.21 C ATOM 1599 CG LEU A 101 16.541 -25.757 -7.694 1.00 75.35 C ATOM 1600 CD1 LEU A 101 16.931 -26.258 -6.312 1.00 72.51 C ATOM 1601 CD2 LEU A 101 15.493 -24.659 -7.589 1.00 44.04 C ATOM 0 H LEU A 101 18.674 -23.358 -9.745 1.00 14.55 H new ATOM 0 HA LEU A 101 17.909 -23.637 -7.039 1.00 72.33 H new ATOM 0 HB2 LEU A 101 17.455 -24.928 -9.441 1.00 32.21 H new ATOM 0 HB3 LEU A 101 18.454 -26.090 -8.592 1.00 32.21 H new ATOM 0 HG LEU A 101 16.112 -26.590 -8.251 1.00 75.35 H new ATOM 0 HD11 LEU A 101 16.043 -26.612 -5.789 1.00 72.51 H new ATOM 0 HD12 LEU A 101 17.645 -27.076 -6.410 1.00 72.51 H new ATOM 0 HD13 LEU A 101 17.385 -25.445 -5.745 1.00 72.51 H new ATOM 0 HD21 LEU A 101 14.625 -25.035 -7.048 1.00 44.04 H new ATOM 0 HD22 LEU A 101 15.912 -23.806 -7.055 1.00 44.04 H new ATOM 0 HD23 LEU A 101 15.191 -24.348 -8.589 1.00 44.04 H new ATOM 1613 N ASP A 102 20.832 -24.901 -7.881 1.00 13.12 N ATOM 1614 CA ASP A 102 22.085 -25.420 -7.344 1.00 40.23 C ATOM 1615 C ASP A 102 22.783 -24.370 -6.485 1.00 71.10 C ATOM 1616 O ASP A 102 23.444 -24.698 -5.499 1.00 33.32 O ATOM 1617 CB ASP A 102 23.006 -25.864 -8.480 1.00 34.32 C ATOM 1618 CG ASP A 102 24.351 -26.353 -7.977 1.00 0.42 C ATOM 1619 OD1 ASP A 102 24.382 -27.384 -7.273 1.00 3.14 O1- ATOM 1620 OD2 ASP A 102 25.373 -25.703 -8.287 1.00 42.52 O ATOM 0 H ASP A 102 20.835 -24.752 -8.890 1.00 13.12 H new ATOM 0 HA ASP A 102 21.855 -26.281 -6.717 1.00 40.23 H new ATOM 0 HB2 ASP A 102 22.522 -26.660 -9.047 1.00 34.32 H new ATOM 0 HB3 ASP A 102 23.159 -25.031 -9.167 1.00 34.32 H new ATOM 1625 N LYS A 103 22.635 -23.106 -6.867 1.00 43.22 N ATOM 1626 CA LYS A 103 23.250 -22.007 -6.134 1.00 13.11 C ATOM 1627 C LYS A 103 22.662 -21.891 -4.731 1.00 33.40 C ATOM 1628 O LYS A 103 23.388 -21.680 -3.759 1.00 60.42 O ATOM 1629 CB LYS A 103 23.057 -20.690 -6.890 1.00 72.23 C ATOM 1630 CG LYS A 103 24.323 -20.182 -7.560 1.00 54.10 C ATOM 1631 CD LYS A 103 24.278 -20.386 -9.064 1.00 52.03 C ATOM 1632 CE LYS A 103 25.582 -19.964 -9.723 1.00 41.21 C ATOM 1633 NZ LYS A 103 25.369 -18.898 -10.742 1.00 13.31 N1+ ATOM 0 H LYS A 103 22.093 -22.818 -7.682 1.00 43.22 H new ATOM 0 HA LYS A 103 24.316 -22.215 -6.046 1.00 13.11 H new ATOM 0 HB2 LYS A 103 22.284 -20.825 -7.647 1.00 72.23 H new ATOM 0 HB3 LYS A 103 22.694 -19.932 -6.196 1.00 72.23 H new ATOM 0 HG2 LYS A 103 24.452 -19.122 -7.339 1.00 54.10 H new ATOM 0 HG3 LYS A 103 25.188 -20.701 -7.147 1.00 54.10 H new ATOM 0 HD2 LYS A 103 24.081 -21.435 -9.284 1.00 52.03 H new ATOM 0 HD3 LYS A 103 23.453 -19.811 -9.486 1.00 52.03 H new ATOM 0 HE2 LYS A 103 26.274 -19.605 -8.961 1.00 41.21 H new ATOM 0 HE3 LYS A 103 26.047 -20.830 -10.195 1.00 41.21 H new ATOM 0 HZ1 LYS A 103 26.283 -18.626 -11.156 1.00 13.31 H new ATOM 0 HZ2 LYS A 103 24.742 -19.254 -11.491 1.00 13.31 H new ATOM 0 HZ3 LYS A 103 24.933 -18.069 -10.291 1.00 13.31 H new ATOM 1647 N ILE A 104 21.345 -22.032 -4.635 1.00 5.42 N ATOM 1648 CA ILE A 104 20.660 -21.945 -3.350 1.00 22.53 C ATOM 1649 C ILE A 104 20.939 -23.175 -2.494 1.00 71.43 C ATOM 1650 O ILE A 104 21.210 -23.064 -1.300 1.00 24.24 O ATOM 1651 CB ILE A 104 19.138 -21.795 -3.532 1.00 70.51 C ATOM 1652 CG1 ILE A 104 18.822 -20.549 -4.362 1.00 21.41 C ATOM 1653 CG2 ILE A 104 18.447 -21.727 -2.179 1.00 40.33 C ATOM 1654 CD1 ILE A 104 17.380 -20.473 -4.814 1.00 13.53 C ATOM 0 H ILE A 104 20.731 -22.207 -5.430 1.00 5.42 H new ATOM 0 HA ILE A 104 21.047 -21.059 -2.846 1.00 22.53 H new ATOM 0 HB ILE A 104 18.763 -22.668 -4.066 1.00 70.51 H new ATOM 0 HG12 ILE A 104 19.057 -19.662 -3.774 1.00 21.41 H new ATOM 0 HG13 ILE A 104 19.470 -20.532 -5.238 1.00 21.41 H new ATOM 0 HG21 ILE A 104 17.372 -21.621 -2.324 1.00 40.33 H new ATOM 0 HG22 ILE A 104 18.649 -22.641 -1.621 1.00 40.33 H new ATOM 0 HG23 ILE A 104 18.824 -20.870 -1.621 1.00 40.33 H new ATOM 0 HD11 ILE A 104 17.229 -19.564 -5.397 1.00 13.53 H new ATOM 0 HD12 ILE A 104 17.145 -21.342 -5.429 1.00 13.53 H new ATOM 0 HD13 ILE A 104 16.726 -20.458 -3.942 1.00 13.53 H new ATOM 1666 N GLU A 105 20.874 -24.349 -3.116 1.00 23.23 N ATOM 1667 CA GLU A 105 21.121 -25.601 -2.410 1.00 34.13 C ATOM 1668 C GLU A 105 22.489 -25.583 -1.733 1.00 70.24 C ATOM 1669 O GLU A 105 22.645 -26.069 -0.614 1.00 32.24 O ATOM 1670 CB GLU A 105 21.033 -26.783 -3.377 1.00 71.13 C ATOM 1671 CG GLU A 105 19.631 -27.351 -3.518 1.00 54.41 C ATOM 1672 CD GLU A 105 19.475 -28.221 -4.750 1.00 62.02 C ATOM 1673 OE1 GLU A 105 20.129 -27.924 -5.772 1.00 52.23 O1- ATOM 1674 OE2 GLU A 105 18.698 -29.197 -4.692 1.00 34.43 O ATOM 0 H GLU A 105 20.653 -24.459 -4.106 1.00 23.23 H new ATOM 0 HA GLU A 105 20.356 -25.712 -1.641 1.00 34.13 H new ATOM 0 HB2 GLU A 105 21.388 -26.466 -4.358 1.00 71.13 H new ATOM 0 HB3 GLU A 105 21.703 -27.572 -3.035 1.00 71.13 H new ATOM 0 HG2 GLU A 105 19.390 -27.937 -2.631 1.00 54.41 H new ATOM 0 HG3 GLU A 105 18.914 -26.531 -3.563 1.00 54.41 H new