USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 GLN : amide:sc= 0.486 K(o=1,f=-0.11) USER MOD Set 1.2: A 59 GLN : amide:sc= 0.544 K(o=1,f=-0.11) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0) USER MOD Set 2.2: A 89 ASN : amide:sc= -0.034 K(o=1.2,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0724 (180deg=0) USER MOD Single : A 5 SER OG : rot -78:sc= 0.628 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.71! C(o=-1.7!,f=-7.4!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.88 X(o=-0.88,f=-0.73) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 34 SER OG : rot -111:sc= 1.41 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 41 SER OG : rot 85:sc= 1.16 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0449 USER MOD Single : A 60 HIS : no HD1:sc= -0.627 K(o=-0.63,f=-1.6) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0563 USER MOD Single : A 65 ASN : amide:sc= 1.92 K(o=1.9,f=-0.23) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-2.9!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0578 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -161:sc= 0.694 (180deg=0.486) USER MOD Single : A 80 TYR OH : rot 96:sc= 0.0188 USER MOD Single : A 83 GLN : amide:sc= -1.8! C(o=-1.8!,f=-5.5!) USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0.896) USER MOD Single : A 93 THR OG1 : rot -164:sc= 0.754 USER MOD Single : A 95 SER OG : rot 74:sc= 1.27 USER MOD Single : A 98 SER OG : rot 180:sc= 0.00544 USER MOD Single : A 102 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.14) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 107 THR OG1 : rot -47:sc= 0.868 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.470 -4.338 2.414 1.00 8.29 N ATOM 2 CA GLY A 1 25.863 -4.161 1.074 1.00 7.86 C ATOM 3 C GLY A 1 25.612 -2.701 0.768 1.00 7.10 C ATOM 4 O GLY A 1 26.226 -1.828 1.386 1.00 7.08 O ATOM 0 H1 GLY A 1 27.151 -5.123 2.385 1.00 8.29 H new ATOM 0 H2 GLY A 1 26.960 -3.464 2.691 1.00 8.29 H new ATOM 0 H3 GLY A 1 25.725 -4.551 3.107 1.00 8.29 H new ATOM 0 HA2 GLY A 1 26.522 -4.585 0.316 1.00 7.86 H new ATOM 0 HA3 GLY A 1 24.923 -4.711 1.023 1.00 7.86 H new ATOM 10 N PRO A 2 24.677 -2.397 -0.145 1.00 6.73 N ATOM 11 CA PRO A 2 24.313 -1.017 -0.474 1.00 6.29 C ATOM 12 C PRO A 2 23.699 -0.305 0.726 1.00 5.85 C ATOM 13 O PRO A 2 22.661 -0.722 1.234 1.00 6.07 O ATOM 14 CB PRO A 2 23.279 -1.171 -1.594 1.00 6.38 C ATOM 15 CG PRO A 2 22.732 -2.547 -1.424 1.00 6.76 C ATOM 16 CD PRO A 2 23.862 -3.376 -0.884 1.00 7.06 C ATOM 0 HA PRO A 2 25.176 -0.418 -0.766 1.00 6.29 H new ATOM 0 HB2 PRO A 2 22.493 -0.420 -1.512 1.00 6.38 H new ATOM 0 HB3 PRO A 2 23.738 -1.046 -2.575 1.00 6.38 H new ATOM 0 HG2 PRO A 2 21.884 -2.548 -0.739 1.00 6.76 H new ATOM 0 HG3 PRO A 2 22.375 -2.945 -2.374 1.00 6.76 H new ATOM 0 HD2 PRO A 2 23.501 -4.172 -0.233 1.00 7.06 H new ATOM 0 HD3 PRO A 2 24.430 -3.851 -1.684 1.00 7.06 H new ATOM 24 N LEU A 3 24.380 0.722 1.216 1.00 5.64 N ATOM 25 CA LEU A 3 23.933 1.435 2.406 1.00 5.68 C ATOM 26 C LEU A 3 22.690 2.265 2.108 1.00 5.29 C ATOM 27 O LEU A 3 22.773 3.462 1.826 1.00 5.56 O ATOM 28 CB LEU A 3 25.049 2.327 2.953 1.00 6.31 C ATOM 29 CG LEU A 3 26.218 1.585 3.609 1.00 6.71 C ATOM 30 CD1 LEU A 3 27.004 2.524 4.504 1.00 7.00 C ATOM 31 CD2 LEU A 3 25.725 0.382 4.405 1.00 7.22 C ATOM 0 H LEU A 3 25.244 1.080 0.808 1.00 5.64 H new ATOM 0 HA LEU A 3 23.677 0.695 3.164 1.00 5.68 H new ATOM 0 HB2 LEU A 3 25.439 2.935 2.137 1.00 6.31 H new ATOM 0 HB3 LEU A 3 24.619 3.012 3.684 1.00 6.31 H new ATOM 0 HG LEU A 3 26.875 1.222 2.818 1.00 6.71 H new ATOM 0 HD11 LEU A 3 27.831 1.982 4.963 1.00 7.00 H new ATOM 0 HD12 LEU A 3 27.396 3.350 3.910 1.00 7.00 H new ATOM 0 HD13 LEU A 3 26.350 2.916 5.283 1.00 7.00 H new ATOM 0 HD21 LEU A 3 26.575 -0.126 4.860 1.00 7.22 H new ATOM 0 HD22 LEU A 3 25.042 0.717 5.186 1.00 7.22 H new ATOM 0 HD23 LEU A 3 25.205 -0.306 3.739 1.00 7.22 H new ATOM 43 N GLY A 4 21.553 1.595 2.119 1.00 4.99 N ATOM 44 CA GLY A 4 20.296 2.234 1.815 1.00 4.95 C ATOM 45 C GLY A 4 19.263 1.231 1.353 1.00 4.12 C ATOM 46 O GLY A 4 18.325 0.916 2.080 1.00 4.21 O ATOM 0 H GLY A 4 21.479 0.601 2.337 1.00 4.99 H new ATOM 0 HA2 GLY A 4 19.929 2.756 2.699 1.00 4.95 H new ATOM 0 HA3 GLY A 4 20.447 2.986 1.040 1.00 4.95 H new ATOM 50 N SER A 5 19.468 0.684 0.163 1.00 3.64 N ATOM 51 CA SER A 5 18.552 -0.293 -0.415 1.00 3.04 C ATOM 52 C SER A 5 18.824 -1.710 0.103 1.00 2.18 C ATOM 53 O SER A 5 18.550 -2.700 -0.582 1.00 2.49 O ATOM 54 CB SER A 5 18.682 -0.254 -1.934 1.00 3.40 C ATOM 55 OG SER A 5 19.673 0.687 -2.329 1.00 4.18 O ATOM 0 H SER A 5 20.270 0.903 -0.428 1.00 3.64 H new ATOM 0 HA SER A 5 17.537 -0.032 -0.116 1.00 3.04 H new ATOM 0 HB2 SER A 5 18.944 -1.244 -2.307 1.00 3.40 H new ATOM 0 HB3 SER A 5 17.723 0.011 -2.380 1.00 3.40 H new ATOM 0 HG SER A 5 19.306 1.594 -2.268 1.00 4.18 H new ATOM 61 N VAL A 6 19.276 -1.805 1.347 1.00 1.77 N ATOM 62 CA VAL A 6 19.520 -3.096 1.983 1.00 1.55 C ATOM 63 C VAL A 6 18.247 -3.614 2.639 1.00 1.64 C ATOM 64 O VAL A 6 18.216 -3.842 3.852 1.00 2.57 O ATOM 65 CB VAL A 6 20.630 -3.010 3.051 1.00 2.21 C ATOM 66 CG1 VAL A 6 21.945 -3.541 2.503 1.00 2.77 C ATOM 67 CG2 VAL A 6 20.785 -1.582 3.558 1.00 2.87 C ATOM 0 H VAL A 6 19.482 -1.000 1.939 1.00 1.77 H new ATOM 0 HA VAL A 6 19.844 -3.781 1.199 1.00 1.55 H new ATOM 0 HB VAL A 6 20.340 -3.635 3.896 1.00 2.21 H new ATOM 0 HG11 VAL A 6 22.714 -3.471 3.272 1.00 2.77 H new ATOM 0 HG12 VAL A 6 21.822 -4.583 2.207 1.00 2.77 H new ATOM 0 HG13 VAL A 6 22.243 -2.950 1.637 1.00 2.77 H new ATOM 0 HG21 VAL A 6 21.573 -1.546 4.310 1.00 2.87 H new ATOM 0 HG22 VAL A 6 21.047 -0.927 2.727 1.00 2.87 H new ATOM 0 HG23 VAL A 6 19.846 -1.249 4.001 1.00 2.87 H new ATOM 77 N LYS A 7 17.181 -3.695 1.843 1.00 1.09 N ATOM 78 CA LYS A 7 15.857 -4.076 2.327 1.00 1.10 C ATOM 79 C LYS A 7 15.262 -2.947 3.159 1.00 0.91 C ATOM 80 O LYS A 7 15.698 -2.686 4.282 1.00 0.98 O ATOM 81 CB LYS A 7 15.910 -5.382 3.130 1.00 1.37 C ATOM 82 CG LYS A 7 14.551 -6.026 3.348 1.00 1.06 C ATOM 83 CD LYS A 7 14.684 -7.379 4.029 1.00 1.05 C ATOM 84 CE LYS A 7 14.239 -7.320 5.482 1.00 1.34 C ATOM 85 NZ LYS A 7 15.393 -7.370 6.419 1.00 2.06 N ATOM 0 H LYS A 7 17.213 -3.498 0.843 1.00 1.09 H new ATOM 0 HA LYS A 7 15.214 -4.252 1.465 1.00 1.10 H new ATOM 0 HB2 LYS A 7 16.558 -6.089 2.612 1.00 1.37 H new ATOM 0 HB3 LYS A 7 16.367 -5.183 4.100 1.00 1.37 H new ATOM 0 HG2 LYS A 7 13.929 -5.370 3.956 1.00 1.06 H new ATOM 0 HG3 LYS A 7 14.045 -6.147 2.390 1.00 1.06 H new ATOM 0 HD2 LYS A 7 14.086 -8.117 3.494 1.00 1.05 H new ATOM 0 HD3 LYS A 7 15.721 -7.712 3.978 1.00 1.05 H new ATOM 0 HE2 LYS A 7 13.674 -6.404 5.651 1.00 1.34 H new ATOM 0 HE3 LYS A 7 13.567 -8.152 5.690 1.00 1.34 H new ATOM 0 HZ1 LYS A 7 15.047 -7.327 7.399 1.00 2.06 H new ATOM 0 HZ2 LYS A 7 15.918 -8.256 6.276 1.00 2.06 H new ATOM 0 HZ3 LYS A 7 16.022 -6.562 6.239 1.00 2.06 H new ATOM 99 N PRO A 8 14.310 -2.206 2.577 1.00 0.74 N ATOM 100 CA PRO A 8 13.686 -1.060 3.240 1.00 0.60 C ATOM 101 C PRO A 8 12.970 -1.466 4.519 1.00 0.52 C ATOM 102 O PRO A 8 12.586 -2.625 4.690 1.00 0.60 O ATOM 103 CB PRO A 8 12.682 -0.537 2.208 1.00 0.61 C ATOM 104 CG PRO A 8 13.142 -1.089 0.901 1.00 0.84 C ATOM 105 CD PRO A 8 13.787 -2.408 1.216 1.00 0.81 C ATOM 0 HA PRO A 8 14.422 -0.315 3.541 1.00 0.60 H new ATOM 0 HB2 PRO A 8 11.670 -0.867 2.441 1.00 0.61 H new ATOM 0 HB3 PRO A 8 12.666 0.553 2.191 1.00 0.61 H new ATOM 0 HG2 PRO A 8 12.305 -1.217 0.215 1.00 0.84 H new ATOM 0 HG3 PRO A 8 13.849 -0.414 0.419 1.00 0.84 H new ATOM 0 HD2 PRO A 8 13.069 -3.227 1.177 1.00 0.81 H new ATOM 0 HD3 PRO A 8 14.582 -2.647 0.510 1.00 0.81 H new ATOM 113 N ASP A 9 12.768 -0.509 5.405 1.00 0.44 N ATOM 114 CA ASP A 9 12.070 -0.772 6.653 1.00 0.48 C ATOM 115 C ASP A 9 10.570 -0.690 6.409 1.00 0.41 C ATOM 116 O ASP A 9 10.145 0.034 5.508 1.00 0.41 O ATOM 117 CB ASP A 9 12.503 0.245 7.713 1.00 0.61 C ATOM 118 CG ASP A 9 12.231 -0.217 9.129 1.00 1.02 C ATOM 119 OD1 ASP A 9 12.823 -1.233 9.557 1.00 1.19 O ATOM 120 OD2 ASP A 9 11.443 0.446 9.833 1.00 1.53 O ATOM 0 H ASP A 9 13.076 0.456 5.286 1.00 0.44 H new ATOM 0 HA ASP A 9 12.317 -1.770 7.015 1.00 0.48 H new ATOM 0 HB2 ASP A 9 13.569 0.445 7.601 1.00 0.61 H new ATOM 0 HB3 ASP A 9 11.982 1.186 7.538 1.00 0.61 H new ATOM 125 N PRO A 10 9.757 -1.499 7.117 1.00 0.56 N ATOM 126 CA PRO A 10 8.306 -1.524 6.931 1.00 0.74 C ATOM 127 C PRO A 10 7.719 -0.121 6.784 1.00 0.67 C ATOM 128 O PRO A 10 7.980 0.751 7.617 1.00 0.97 O ATOM 129 CB PRO A 10 7.813 -2.178 8.215 1.00 1.05 C ATOM 130 CG PRO A 10 8.900 -3.128 8.581 1.00 1.12 C ATOM 131 CD PRO A 10 10.191 -2.514 8.094 1.00 0.78 C ATOM 0 HA PRO A 10 8.011 -2.050 6.023 1.00 0.74 H new ATOM 0 HB2 PRO A 10 7.648 -1.440 9.000 1.00 1.05 H new ATOM 0 HB3 PRO A 10 6.867 -2.696 8.060 1.00 1.05 H new ATOM 0 HG2 PRO A 10 8.929 -3.287 9.659 1.00 1.12 H new ATOM 0 HG3 PRO A 10 8.736 -4.102 8.119 1.00 1.12 H new ATOM 0 HD2 PRO A 10 10.753 -2.065 8.913 1.00 0.78 H new ATOM 0 HD3 PRO A 10 10.839 -3.260 7.634 1.00 0.78 H new ATOM 139 N PRO A 11 7.028 0.134 5.657 1.00 0.37 N ATOM 140 CA PRO A 11 6.490 1.454 5.312 1.00 0.38 C ATOM 141 C PRO A 11 5.834 2.168 6.490 1.00 0.28 C ATOM 142 O PRO A 11 5.187 1.545 7.335 1.00 0.35 O ATOM 143 CB PRO A 11 5.461 1.122 4.239 1.00 0.50 C ATOM 144 CG PRO A 11 6.035 -0.060 3.536 1.00 0.64 C ATOM 145 CD PRO A 11 6.811 -0.838 4.568 1.00 0.41 C ATOM 0 HA PRO A 11 7.272 2.142 4.991 1.00 0.38 H new ATOM 0 HB2 PRO A 11 4.489 0.892 4.676 1.00 0.50 H new ATOM 0 HB3 PRO A 11 5.313 1.959 3.556 1.00 0.50 H new ATOM 0 HG2 PRO A 11 5.246 -0.673 3.101 1.00 0.64 H new ATOM 0 HG3 PRO A 11 6.684 0.253 2.718 1.00 0.64 H new ATOM 0 HD2 PRO A 11 6.254 -1.708 4.915 1.00 0.41 H new ATOM 0 HD3 PRO A 11 7.755 -1.204 4.165 1.00 0.41 H new ATOM 153 N GLU A 12 6.034 3.474 6.557 1.00 0.28 N ATOM 154 CA GLU A 12 5.506 4.269 7.650 1.00 0.30 C ATOM 155 C GLU A 12 4.482 5.273 7.137 1.00 0.28 C ATOM 156 O GLU A 12 4.421 5.545 5.937 1.00 0.31 O ATOM 157 CB GLU A 12 6.646 4.991 8.371 1.00 0.47 C ATOM 158 CG GLU A 12 7.418 4.103 9.334 1.00 0.98 C ATOM 159 CD GLU A 12 7.573 4.737 10.700 1.00 1.58 C ATOM 160 OE1 GLU A 12 6.585 4.765 11.463 1.00 2.09 O ATOM 161 OE2 GLU A 12 8.687 5.200 11.021 1.00 2.11 O ATOM 0 H GLU A 12 6.560 4.006 5.864 1.00 0.28 H new ATOM 0 HA GLU A 12 5.008 3.604 8.356 1.00 0.30 H new ATOM 0 HB2 GLU A 12 7.336 5.394 7.629 1.00 0.47 H new ATOM 0 HB3 GLU A 12 6.237 5.839 8.920 1.00 0.47 H new ATOM 0 HG2 GLU A 12 6.904 3.147 9.436 1.00 0.98 H new ATOM 0 HG3 GLU A 12 8.404 3.892 8.920 1.00 0.98 H new ATOM 168 N ASN A 13 3.658 5.781 8.051 1.00 0.33 N ATOM 169 CA ASN A 13 2.612 6.754 7.724 1.00 0.37 C ATOM 170 C ASN A 13 1.638 6.178 6.702 1.00 0.32 C ATOM 171 O ASN A 13 1.145 6.884 5.826 1.00 0.35 O ATOM 172 CB ASN A 13 3.229 8.054 7.191 1.00 0.45 C ATOM 173 CG ASN A 13 2.460 9.289 7.617 1.00 0.62 C ATOM 174 OD1 ASN A 13 1.225 9.313 7.604 1.00 0.82 O ATOM 175 ND2 ASN A 13 3.186 10.328 7.995 1.00 1.01 N ATOM 0 H ASN A 13 3.695 5.531 9.039 1.00 0.33 H new ATOM 0 HA ASN A 13 2.063 6.978 8.639 1.00 0.37 H new ATOM 0 HB2 ASN A 13 4.258 8.133 7.543 1.00 0.45 H new ATOM 0 HB3 ASN A 13 3.267 8.013 6.102 1.00 0.45 H new ATOM 0 HD21 ASN A 13 2.728 11.190 8.290 1.00 1.01 H new ATOM 0 HD22 ASN A 13 4.204 10.267 7.991 1.00 1.01 H new ATOM 182 N VAL A 14 1.371 4.886 6.822 1.00 0.30 N ATOM 183 CA VAL A 14 0.487 4.198 5.893 1.00 0.29 C ATOM 184 C VAL A 14 -0.957 4.288 6.352 1.00 0.32 C ATOM 185 O VAL A 14 -1.357 3.621 7.309 1.00 0.47 O ATOM 186 CB VAL A 14 0.862 2.710 5.728 1.00 0.34 C ATOM 187 CG1 VAL A 14 0.768 2.303 4.271 1.00 0.45 C ATOM 188 CG2 VAL A 14 2.255 2.432 6.269 1.00 0.69 C ATOM 0 H VAL A 14 1.755 4.291 7.556 1.00 0.30 H new ATOM 0 HA VAL A 14 0.603 4.697 4.931 1.00 0.29 H new ATOM 0 HB VAL A 14 0.154 2.116 6.305 1.00 0.34 H new ATOM 0 HG11 VAL A 14 1.035 1.251 4.169 1.00 0.45 H new ATOM 0 HG12 VAL A 14 -0.251 2.455 3.916 1.00 0.45 H new ATOM 0 HG13 VAL A 14 1.453 2.910 3.679 1.00 0.45 H new ATOM 0 HG21 VAL A 14 2.492 1.376 6.139 1.00 0.69 H new ATOM 0 HG22 VAL A 14 2.983 3.036 5.728 1.00 0.69 H new ATOM 0 HG23 VAL A 14 2.291 2.684 7.329 1.00 0.69 H new ATOM 198 N VAL A 15 -1.732 5.121 5.676 1.00 0.27 N ATOM 199 CA VAL A 15 -3.131 5.304 6.015 1.00 0.35 C ATOM 200 C VAL A 15 -3.994 5.371 4.760 1.00 0.34 C ATOM 201 O VAL A 15 -3.809 6.244 3.910 1.00 0.39 O ATOM 202 CB VAL A 15 -3.364 6.587 6.848 1.00 0.43 C ATOM 203 CG1 VAL A 15 -3.324 6.273 8.333 1.00 1.34 C ATOM 204 CG2 VAL A 15 -2.342 7.663 6.501 1.00 1.48 C ATOM 0 H VAL A 15 -1.413 5.682 4.887 1.00 0.27 H new ATOM 0 HA VAL A 15 -3.417 4.440 6.615 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.353 6.972 6.601 1.00 0.43 H new ATOM 0 HG11 VAL A 15 -3.490 7.187 8.903 1.00 1.34 H new ATOM 0 HG12 VAL A 15 -4.103 5.550 8.573 1.00 1.34 H new ATOM 0 HG13 VAL A 15 -2.350 5.856 8.591 1.00 1.34 H new ATOM 0 HG21 VAL A 15 -2.531 8.552 7.102 1.00 1.48 H new ATOM 0 HG22 VAL A 15 -1.338 7.292 6.708 1.00 1.48 H new ATOM 0 HG23 VAL A 15 -2.424 7.916 5.444 1.00 1.48 H new ATOM 214 N ALA A 16 -4.980 4.494 4.685 1.00 0.35 N ATOM 215 CA ALA A 16 -5.946 4.532 3.601 1.00 0.38 C ATOM 216 C ALA A 16 -7.178 5.298 4.060 1.00 0.36 C ATOM 217 O ALA A 16 -7.843 4.900 5.020 1.00 0.39 O ATOM 218 CB ALA A 16 -6.308 3.129 3.158 1.00 0.45 C ATOM 0 H ALA A 16 -5.133 3.747 5.362 1.00 0.35 H new ATOM 0 HA ALA A 16 -5.510 5.042 2.742 1.00 0.38 H new ATOM 0 HB1 ALA A 16 -7.033 3.180 2.345 1.00 0.45 H new ATOM 0 HB2 ALA A 16 -5.412 2.614 2.813 1.00 0.45 H new ATOM 0 HB3 ALA A 16 -6.741 2.583 3.996 1.00 0.45 H new ATOM 224 N ARG A 17 -7.358 6.485 3.508 1.00 0.37 N ATOM 225 CA ARG A 17 -8.376 7.403 4.001 1.00 0.37 C ATOM 226 C ARG A 17 -9.647 7.350 3.162 1.00 0.35 C ATOM 227 O ARG A 17 -9.604 7.476 1.941 1.00 0.48 O ATOM 228 CB ARG A 17 -7.821 8.826 4.031 1.00 0.50 C ATOM 229 CG ARG A 17 -7.058 9.144 5.308 1.00 1.21 C ATOM 230 CD ARG A 17 -7.687 10.303 6.064 1.00 1.69 C ATOM 231 NE ARG A 17 -9.014 9.967 6.585 1.00 2.32 N ATOM 232 CZ ARG A 17 -10.155 10.463 6.107 1.00 3.06 C ATOM 233 NH1 ARG A 17 -10.143 11.290 5.067 1.00 3.37 N ATOM 234 NH2 ARG A 17 -11.310 10.117 6.666 1.00 3.99 N ATOM 0 H ARG A 17 -6.815 6.838 2.720 1.00 0.37 H new ATOM 0 HA ARG A 17 -8.641 7.093 5.012 1.00 0.37 H new ATOM 0 HB2 ARG A 17 -7.161 8.970 3.176 1.00 0.50 H new ATOM 0 HB3 ARG A 17 -8.644 9.533 3.921 1.00 0.50 H new ATOM 0 HG2 ARG A 17 -7.035 8.262 5.948 1.00 1.21 H new ATOM 0 HG3 ARG A 17 -6.024 9.387 5.063 1.00 1.21 H new ATOM 0 HD2 ARG A 17 -7.037 10.592 6.890 1.00 1.69 H new ATOM 0 HD3 ARG A 17 -7.766 11.166 5.403 1.00 1.69 H new ATOM 0 HE ARG A 17 -9.068 9.311 7.364 1.00 2.32 H new ATOM 0 HH11 ARG A 17 -9.258 11.548 4.631 1.00 3.37 H new ATOM 0 HH12 ARG A 17 -11.019 11.667 4.705 1.00 3.37 H new ATOM 0 HH21 ARG A 17 -11.321 9.474 7.458 1.00 3.99 H new ATOM 0 HH22 ARG A 17 -12.185 10.494 6.303 1.00 3.99 H new ATOM 248 N PRO A 18 -10.793 7.124 3.815 1.00 0.31 N ATOM 249 CA PRO A 18 -12.088 7.020 3.136 1.00 0.38 C ATOM 250 C PRO A 18 -12.612 8.370 2.650 1.00 0.39 C ATOM 251 O PRO A 18 -12.892 9.269 3.447 1.00 0.46 O ATOM 252 CB PRO A 18 -13.007 6.452 4.215 1.00 0.49 C ATOM 253 CG PRO A 18 -12.391 6.866 5.507 1.00 0.57 C ATOM 254 CD PRO A 18 -10.909 6.903 5.269 1.00 0.43 C ATOM 0 HA PRO A 18 -12.023 6.406 2.238 1.00 0.38 H new ATOM 0 HB2 PRO A 18 -14.019 6.844 4.117 1.00 0.49 H new ATOM 0 HB3 PRO A 18 -13.077 5.367 4.142 1.00 0.49 H new ATOM 0 HG2 PRO A 18 -12.760 7.843 5.819 1.00 0.57 H new ATOM 0 HG3 PRO A 18 -12.641 6.162 6.301 1.00 0.57 H new ATOM 0 HD2 PRO A 18 -10.433 7.704 5.835 1.00 0.43 H new ATOM 0 HD3 PRO A 18 -10.432 5.971 5.572 1.00 0.43 H new ATOM 262 N VAL A 19 -12.801 8.480 1.343 1.00 0.40 N ATOM 263 CA VAL A 19 -13.351 9.687 0.738 1.00 0.45 C ATOM 264 C VAL A 19 -14.876 9.703 0.882 1.00 0.48 C ATOM 265 O VAL A 19 -15.556 8.821 0.370 1.00 0.47 O ATOM 266 CB VAL A 19 -12.966 9.778 -0.756 1.00 0.47 C ATOM 267 CG1 VAL A 19 -13.476 11.064 -1.391 1.00 0.59 C ATOM 268 CG2 VAL A 19 -11.458 9.664 -0.920 1.00 0.52 C ATOM 0 H VAL A 19 -12.580 7.742 0.675 1.00 0.40 H new ATOM 0 HA VAL A 19 -12.932 10.549 1.258 1.00 0.45 H new ATOM 0 HB VAL A 19 -13.443 8.945 -1.273 1.00 0.47 H new ATOM 0 HG11 VAL A 19 -13.186 11.091 -2.441 1.00 0.59 H new ATOM 0 HG12 VAL A 19 -14.563 11.102 -1.314 1.00 0.59 H new ATOM 0 HG13 VAL A 19 -13.046 11.921 -0.873 1.00 0.59 H new ATOM 0 HG21 VAL A 19 -11.201 9.730 -1.977 1.00 0.52 H new ATOM 0 HG22 VAL A 19 -10.971 10.474 -0.377 1.00 0.52 H new ATOM 0 HG23 VAL A 19 -11.120 8.707 -0.523 1.00 0.52 H new ATOM 278 N PRO A 20 -15.425 10.674 1.634 1.00 0.58 N ATOM 279 CA PRO A 20 -16.868 10.746 1.925 1.00 0.69 C ATOM 280 C PRO A 20 -17.706 11.025 0.683 1.00 0.70 C ATOM 281 O PRO A 20 -18.917 10.818 0.673 1.00 1.27 O ATOM 282 CB PRO A 20 -16.984 11.915 2.913 1.00 0.84 C ATOM 283 CG PRO A 20 -15.607 12.113 3.446 1.00 0.97 C ATOM 284 CD PRO A 20 -14.678 11.726 2.334 1.00 0.67 C ATOM 0 HA PRO A 20 -17.242 9.799 2.315 1.00 0.69 H new ATOM 0 HB2 PRO A 20 -17.348 12.815 2.417 1.00 0.84 H new ATOM 0 HB3 PRO A 20 -17.687 11.686 3.714 1.00 0.84 H new ATOM 0 HG2 PRO A 20 -15.449 13.149 3.745 1.00 0.97 H new ATOM 0 HG3 PRO A 20 -15.437 11.497 4.329 1.00 0.97 H new ATOM 0 HD2 PRO A 20 -14.458 12.569 1.679 1.00 0.67 H new ATOM 0 HD3 PRO A 20 -13.724 11.360 2.713 1.00 0.67 H new ATOM 292 N SER A 21 -17.063 11.544 -0.342 1.00 0.80 N ATOM 293 CA SER A 21 -17.750 11.891 -1.569 1.00 0.85 C ATOM 294 C SER A 21 -17.652 10.761 -2.589 1.00 0.65 C ATOM 295 O SER A 21 -18.227 10.838 -3.673 1.00 0.69 O ATOM 296 CB SER A 21 -17.161 13.181 -2.137 1.00 1.07 C ATOM 297 OG SER A 21 -16.663 14.004 -1.091 1.00 1.49 O ATOM 0 H SER A 21 -16.061 11.736 -0.350 1.00 0.80 H new ATOM 0 HA SER A 21 -18.806 12.046 -1.348 1.00 0.85 H new ATOM 0 HB2 SER A 21 -16.358 12.944 -2.835 1.00 1.07 H new ATOM 0 HB3 SER A 21 -17.924 13.719 -2.699 1.00 1.07 H new ATOM 0 HG SER A 21 -16.288 14.825 -1.472 1.00 1.49 H new ATOM 303 N ASN A 22 -16.924 9.707 -2.238 1.00 0.55 N ATOM 304 CA ASN A 22 -16.745 8.579 -3.132 1.00 0.44 C ATOM 305 C ASN A 22 -16.826 7.255 -2.378 1.00 0.40 C ATOM 306 O ASN A 22 -15.936 6.916 -1.598 1.00 0.43 O ATOM 307 CB ASN A 22 -15.405 8.691 -3.849 1.00 0.57 C ATOM 308 CG ASN A 22 -15.368 7.878 -5.119 1.00 0.74 C ATOM 309 OD1 ASN A 22 -15.751 6.707 -5.137 1.00 0.94 O ATOM 310 ND2 ASN A 22 -14.898 8.488 -6.189 1.00 1.28 N ATOM 0 H ASN A 22 -16.450 9.614 -1.340 1.00 0.55 H new ATOM 0 HA ASN A 22 -17.551 8.598 -3.866 1.00 0.44 H new ATOM 0 HB2 ASN A 22 -15.207 9.737 -4.083 1.00 0.57 H new ATOM 0 HB3 ASN A 22 -14.609 8.357 -3.183 1.00 0.57 H new ATOM 0 HD21 ASN A 22 -14.841 7.989 -7.077 1.00 1.28 H new ATOM 0 HD22 ASN A 22 -14.592 9.459 -6.129 1.00 1.28 H new ATOM 317 N PRO A 23 -17.892 6.479 -2.630 1.00 0.40 N ATOM 318 CA PRO A 23 -18.135 5.184 -1.970 1.00 0.43 C ATOM 319 C PRO A 23 -17.015 4.166 -2.175 1.00 0.48 C ATOM 320 O PRO A 23 -16.963 3.154 -1.487 1.00 0.98 O ATOM 321 CB PRO A 23 -19.425 4.676 -2.630 1.00 0.56 C ATOM 322 CG PRO A 23 -19.587 5.490 -3.868 1.00 0.70 C ATOM 323 CD PRO A 23 -18.975 6.823 -3.562 1.00 0.48 C ATOM 0 HA PRO A 23 -18.197 5.311 -0.889 1.00 0.43 H new ATOM 0 HB2 PRO A 23 -19.353 3.614 -2.865 1.00 0.56 H new ATOM 0 HB3 PRO A 23 -20.280 4.798 -1.965 1.00 0.56 H new ATOM 0 HG2 PRO A 23 -19.090 5.017 -4.715 1.00 0.70 H new ATOM 0 HG3 PRO A 23 -20.639 5.594 -4.133 1.00 0.70 H new ATOM 0 HD2 PRO A 23 -18.596 7.310 -4.461 1.00 0.48 H new ATOM 0 HD3 PRO A 23 -19.696 7.505 -3.110 1.00 0.48 H new ATOM 331 N ARG A 24 -16.185 4.368 -3.183 1.00 0.31 N ATOM 332 CA ARG A 24 -15.186 3.368 -3.525 1.00 0.27 C ATOM 333 C ARG A 24 -13.761 3.893 -3.378 1.00 0.26 C ATOM 334 O ARG A 24 -12.803 3.163 -3.626 1.00 0.31 O ATOM 335 CB ARG A 24 -15.413 2.896 -4.958 1.00 0.35 C ATOM 336 CG ARG A 24 -16.317 1.685 -5.056 1.00 0.37 C ATOM 337 CD ARG A 24 -16.990 1.596 -6.413 1.00 0.62 C ATOM 338 NE ARG A 24 -18.443 1.507 -6.297 1.00 1.27 N ATOM 339 CZ ARG A 24 -19.124 0.363 -6.261 1.00 2.02 C ATOM 340 NH1 ARG A 24 -18.486 -0.802 -6.288 1.00 2.44 N ATOM 341 NH2 ARG A 24 -20.444 0.394 -6.173 1.00 2.86 N ATOM 0 H ARG A 24 -16.180 5.201 -3.772 1.00 0.31 H new ATOM 0 HA ARG A 24 -15.299 2.538 -2.827 1.00 0.27 H new ATOM 0 HB2 ARG A 24 -15.846 3.712 -5.537 1.00 0.35 H new ATOM 0 HB3 ARG A 24 -14.451 2.659 -5.412 1.00 0.35 H new ATOM 0 HG2 ARG A 24 -15.735 0.781 -4.878 1.00 0.37 H new ATOM 0 HG3 ARG A 24 -17.076 1.733 -4.276 1.00 0.37 H new ATOM 0 HD2 ARG A 24 -16.726 2.471 -7.007 1.00 0.62 H new ATOM 0 HD3 ARG A 24 -16.615 0.723 -6.948 1.00 0.62 H new ATOM 0 HE ARG A 24 -18.971 2.378 -6.240 1.00 1.27 H new ATOM 0 HH11 ARG A 24 -17.467 -0.825 -6.337 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -19.015 -1.674 -6.260 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -20.932 1.289 -6.133 1.00 2.86 H new ATOM 0 HH22 ARG A 24 -20.974 -0.477 -6.145 1.00 2.86 H new ATOM 355 N ARG A 25 -13.618 5.170 -3.064 1.00 0.23 N ATOM 356 CA ARG A 25 -12.299 5.792 -3.053 1.00 0.26 C ATOM 357 C ARG A 25 -11.620 5.722 -1.691 1.00 0.24 C ATOM 358 O ARG A 25 -12.089 6.308 -0.713 1.00 0.24 O ATOM 359 CB ARG A 25 -12.398 7.248 -3.496 1.00 0.32 C ATOM 360 CG ARG A 25 -11.149 7.755 -4.192 1.00 0.51 C ATOM 361 CD ARG A 25 -11.377 9.126 -4.808 1.00 0.80 C ATOM 362 NE ARG A 25 -10.137 9.724 -5.304 1.00 1.32 N ATOM 363 CZ ARG A 25 -9.435 9.278 -6.348 1.00 1.71 C ATOM 364 NH1 ARG A 25 -9.852 8.241 -7.063 1.00 2.14 N ATOM 365 NH2 ARG A 25 -8.309 9.893 -6.680 1.00 2.31 N ATOM 0 H ARG A 25 -14.387 5.792 -2.816 1.00 0.23 H new ATOM 0 HA ARG A 25 -11.684 5.226 -3.753 1.00 0.26 H new ATOM 0 HB2 ARG A 25 -13.249 7.358 -4.168 1.00 0.32 H new ATOM 0 HB3 ARG A 25 -12.597 7.872 -2.625 1.00 0.32 H new ATOM 0 HG2 ARG A 25 -10.328 7.807 -3.477 1.00 0.51 H new ATOM 0 HG3 ARG A 25 -10.851 7.050 -4.968 1.00 0.51 H new ATOM 0 HD2 ARG A 25 -12.090 9.040 -5.628 1.00 0.80 H new ATOM 0 HD3 ARG A 25 -11.825 9.786 -4.065 1.00 0.80 H new ATOM 0 HE ARG A 25 -9.782 10.545 -4.814 1.00 1.32 H new ATOM 0 HH11 ARG A 25 -10.723 7.770 -6.818 1.00 2.14 H new ATOM 0 HH12 ARG A 25 -9.302 7.915 -7.857 1.00 2.14 H new ATOM 0 HH21 ARG A 25 -7.989 10.697 -6.140 1.00 2.31 H new ATOM 0 HH22 ARG A 25 -7.763 9.563 -7.476 1.00 2.31 H new ATOM 379 N LEU A 26 -10.428 5.143 -1.688 1.00 0.29 N ATOM 380 CA LEU A 26 -9.565 5.151 -0.520 1.00 0.35 C ATOM 381 C LEU A 26 -8.267 5.874 -0.848 1.00 0.39 C ATOM 382 O LEU A 26 -7.516 5.446 -1.726 1.00 0.44 O ATOM 383 CB LEU A 26 -9.234 3.727 -0.067 1.00 0.44 C ATOM 384 CG LEU A 26 -10.304 3.032 0.773 1.00 0.36 C ATOM 385 CD1 LEU A 26 -9.885 1.604 1.082 1.00 0.46 C ATOM 386 CD2 LEU A 26 -10.553 3.799 2.060 1.00 0.43 C ATOM 0 H LEU A 26 -10.034 4.656 -2.493 1.00 0.29 H new ATOM 0 HA LEU A 26 -10.093 5.663 0.284 1.00 0.35 H new ATOM 0 HB2 LEU A 26 -9.042 3.120 -0.952 1.00 0.44 H new ATOM 0 HB3 LEU A 26 -8.308 3.755 0.508 1.00 0.44 H new ATOM 0 HG LEU A 26 -11.232 3.009 0.201 1.00 0.36 H new ATOM 0 HD11 LEU A 26 -10.656 1.120 1.681 1.00 0.46 H new ATOM 0 HD12 LEU A 26 -9.751 1.054 0.150 1.00 0.46 H new ATOM 0 HD13 LEU A 26 -8.947 1.612 1.637 1.00 0.46 H new ATOM 0 HD21 LEU A 26 -11.318 3.289 2.645 1.00 0.43 H new ATOM 0 HD22 LEU A 26 -9.630 3.851 2.637 1.00 0.43 H new ATOM 0 HD23 LEU A 26 -10.890 4.808 1.823 1.00 0.43 H new ATOM 398 N GLU A 27 -7.987 6.939 -0.118 1.00 0.41 N ATOM 399 CA GLU A 27 -6.738 7.665 -0.280 1.00 0.47 C ATOM 400 C GLU A 27 -5.622 6.927 0.443 1.00 0.41 C ATOM 401 O GLU A 27 -5.279 7.266 1.577 1.00 0.48 O ATOM 402 CB GLU A 27 -6.857 9.092 0.267 1.00 0.51 C ATOM 403 CG GLU A 27 -7.896 9.941 -0.446 1.00 0.99 C ATOM 404 CD GLU A 27 -7.319 11.224 -1.021 1.00 1.26 C ATOM 405 OE1 GLU A 27 -6.212 11.621 -0.601 1.00 1.63 O ATOM 406 OE2 GLU A 27 -7.959 11.835 -1.905 1.00 1.82 O ATOM 0 H GLU A 27 -8.609 7.322 0.594 1.00 0.41 H new ATOM 0 HA GLU A 27 -6.509 7.726 -1.344 1.00 0.47 H new ATOM 0 HB2 GLU A 27 -7.106 9.044 1.327 1.00 0.51 H new ATOM 0 HB3 GLU A 27 -5.887 9.582 0.190 1.00 0.51 H new ATOM 0 HG2 GLU A 27 -8.344 9.358 -1.250 1.00 0.99 H new ATOM 0 HG3 GLU A 27 -8.696 10.189 0.252 1.00 0.99 H new ATOM 413 N VAL A 28 -5.104 5.877 -0.180 1.00 0.40 N ATOM 414 CA VAL A 28 -4.049 5.084 0.427 1.00 0.38 C ATOM 415 C VAL A 28 -2.733 5.841 0.350 1.00 0.35 C ATOM 416 O VAL A 28 -2.068 5.850 -0.680 1.00 0.42 O ATOM 417 CB VAL A 28 -3.900 3.708 -0.254 1.00 0.49 C ATOM 418 CG1 VAL A 28 -2.878 2.856 0.475 1.00 0.61 C ATOM 419 CG2 VAL A 28 -5.243 2.996 -0.329 1.00 0.68 C ATOM 0 H VAL A 28 -5.398 5.557 -1.103 1.00 0.40 H new ATOM 0 HA VAL A 28 -4.319 4.910 1.469 1.00 0.38 H new ATOM 0 HB VAL A 28 -3.544 3.868 -1.272 1.00 0.49 H new ATOM 0 HG11 VAL A 28 -2.789 1.890 -0.022 1.00 0.61 H new ATOM 0 HG12 VAL A 28 -1.911 3.360 0.466 1.00 0.61 H new ATOM 0 HG13 VAL A 28 -3.199 2.705 1.506 1.00 0.61 H new ATOM 0 HG21 VAL A 28 -5.115 2.028 -0.813 1.00 0.68 H new ATOM 0 HG22 VAL A 28 -5.634 2.850 0.678 1.00 0.68 H new ATOM 0 HG23 VAL A 28 -5.943 3.600 -0.906 1.00 0.68 H new ATOM 429 N THR A 29 -2.426 6.571 1.401 1.00 0.31 N ATOM 430 CA THR A 29 -1.258 7.429 1.413 1.00 0.30 C ATOM 431 C THR A 29 -0.262 6.973 2.469 1.00 0.28 C ATOM 432 O THR A 29 -0.652 6.534 3.551 1.00 0.31 O ATOM 433 CB THR A 29 -1.667 8.887 1.678 1.00 0.35 C ATOM 434 OG1 THR A 29 -3.034 9.081 1.274 1.00 0.69 O ATOM 435 CG2 THR A 29 -0.770 9.855 0.925 1.00 0.59 C ATOM 0 H THR A 29 -2.971 6.588 2.263 1.00 0.31 H new ATOM 0 HA THR A 29 -0.782 7.364 0.435 1.00 0.30 H new ATOM 0 HB THR A 29 -1.562 9.085 2.745 1.00 0.35 H new ATOM 0 HG1 THR A 29 -3.297 10.010 1.444 1.00 0.69 H new ATOM 0 HG21 THR A 29 -1.084 10.878 1.132 1.00 0.59 H new ATOM 0 HG22 THR A 29 0.263 9.720 1.247 1.00 0.59 H new ATOM 0 HG23 THR A 29 -0.844 9.662 -0.145 1.00 0.59 H new ATOM 443 N TRP A 30 1.015 7.030 2.133 1.00 0.27 N ATOM 444 CA TRP A 30 2.060 6.597 3.043 1.00 0.28 C ATOM 445 C TRP A 30 3.314 7.442 2.867 1.00 0.27 C ATOM 446 O TRP A 30 3.341 8.374 2.061 1.00 0.33 O ATOM 447 CB TRP A 30 2.390 5.115 2.822 1.00 0.29 C ATOM 448 CG TRP A 30 2.845 4.794 1.428 1.00 0.25 C ATOM 449 CD1 TRP A 30 4.122 4.851 0.950 1.00 0.40 C ATOM 450 CD2 TRP A 30 2.026 4.369 0.334 1.00 0.25 C ATOM 451 NE1 TRP A 30 4.143 4.495 -0.375 1.00 0.44 N ATOM 452 CE2 TRP A 30 2.869 4.195 -0.776 1.00 0.33 C ATOM 453 CE3 TRP A 30 0.661 4.121 0.186 1.00 0.39 C ATOM 454 CZ2 TRP A 30 2.392 3.787 -2.019 1.00 0.41 C ATOM 455 CZ3 TRP A 30 0.189 3.718 -1.046 1.00 0.49 C ATOM 456 CH2 TRP A 30 1.050 3.553 -2.133 1.00 0.46 C ATOM 0 H TRP A 30 1.353 7.373 1.234 1.00 0.27 H new ATOM 0 HA TRP A 30 1.694 6.726 4.061 1.00 0.28 H new ATOM 0 HB2 TRP A 30 3.168 4.817 3.525 1.00 0.29 H new ATOM 0 HB3 TRP A 30 1.507 4.518 3.052 1.00 0.29 H new ATOM 0 HD1 TRP A 30 4.988 5.135 1.529 1.00 0.40 H new ATOM 0 HE1 TRP A 30 4.974 4.460 -0.966 1.00 0.44 H new ATOM 0 HE3 TRP A 30 -0.014 4.242 1.021 1.00 0.39 H new ATOM 0 HZ2 TRP A 30 3.057 3.660 -2.861 1.00 0.41 H new ATOM 0 HZ3 TRP A 30 -0.866 3.526 -1.172 1.00 0.49 H new ATOM 0 HH2 TRP A 30 0.647 3.234 -3.083 1.00 0.46 H new ATOM 467 N GLN A 31 4.357 7.061 3.577 1.00 0.28 N ATOM 468 CA GLN A 31 5.652 7.700 3.473 1.00 0.29 C ATOM 469 C GLN A 31 6.732 6.628 3.514 1.00 0.29 C ATOM 470 O GLN A 31 6.433 5.458 3.772 1.00 0.29 O ATOM 471 CB GLN A 31 5.851 8.688 4.625 1.00 0.32 C ATOM 472 CG GLN A 31 5.700 10.145 4.217 1.00 0.64 C ATOM 473 CD GLN A 31 6.445 10.464 2.938 1.00 0.85 C ATOM 474 OE1 GLN A 31 7.662 10.302 2.858 1.00 1.65 O ATOM 475 NE2 GLN A 31 5.718 10.911 1.926 1.00 0.79 N ATOM 0 H GLN A 31 4.329 6.293 4.248 1.00 0.28 H new ATOM 0 HA GLN A 31 5.713 8.251 2.535 1.00 0.29 H new ATOM 0 HB2 GLN A 31 5.131 8.464 5.412 1.00 0.32 H new ATOM 0 HB3 GLN A 31 6.844 8.541 5.050 1.00 0.32 H new ATOM 0 HG2 GLN A 31 4.643 10.376 4.086 1.00 0.64 H new ATOM 0 HG3 GLN A 31 6.069 10.785 5.019 1.00 0.64 H new ATOM 0 HE21 GLN A 31 4.711 11.031 2.035 1.00 0.79 H new ATOM 0 HE22 GLN A 31 6.165 11.136 1.037 1.00 0.79 H new ATOM 484 N THR A 32 7.984 7.018 3.346 1.00 0.34 N ATOM 485 CA THR A 32 9.071 6.068 3.477 1.00 0.36 C ATOM 486 C THR A 32 9.353 5.814 4.951 1.00 0.41 C ATOM 487 O THR A 32 9.003 6.635 5.804 1.00 0.49 O ATOM 488 CB THR A 32 10.356 6.565 2.792 1.00 0.42 C ATOM 489 OG1 THR A 32 10.585 7.943 3.122 1.00 0.49 O ATOM 490 CG2 THR A 32 10.258 6.413 1.280 1.00 0.49 C ATOM 0 H THR A 32 8.269 7.971 3.122 1.00 0.34 H new ATOM 0 HA THR A 32 8.763 5.145 2.985 1.00 0.36 H new ATOM 0 HB THR A 32 11.189 5.960 3.150 1.00 0.42 H new ATOM 0 HG1 THR A 32 11.405 8.252 2.684 1.00 0.49 H new ATOM 0 HG21 THR A 32 11.178 6.771 0.818 1.00 0.49 H new ATOM 0 HG22 THR A 32 10.111 5.363 1.029 1.00 0.49 H new ATOM 0 HG23 THR A 32 9.415 6.996 0.910 1.00 0.49 H new ATOM 498 N PRO A 33 9.960 4.671 5.285 1.00 0.39 N ATOM 499 CA PRO A 33 10.289 4.337 6.669 1.00 0.46 C ATOM 500 C PRO A 33 11.277 5.328 7.280 1.00 0.56 C ATOM 501 O PRO A 33 11.942 6.085 6.567 1.00 0.60 O ATOM 502 CB PRO A 33 10.931 2.955 6.568 1.00 0.46 C ATOM 503 CG PRO A 33 11.369 2.835 5.151 1.00 0.42 C ATOM 504 CD PRO A 33 10.368 3.613 4.351 1.00 0.35 C ATOM 0 HA PRO A 33 9.408 4.366 7.310 1.00 0.46 H new ATOM 0 HB2 PRO A 33 11.775 2.861 7.251 1.00 0.46 H new ATOM 0 HB3 PRO A 33 10.221 2.170 6.829 1.00 0.46 H new ATOM 0 HG2 PRO A 33 12.374 3.235 5.016 1.00 0.42 H new ATOM 0 HG3 PRO A 33 11.396 1.792 4.836 1.00 0.42 H new ATOM 0 HD2 PRO A 33 10.807 4.023 3.442 1.00 0.35 H new ATOM 0 HD3 PRO A 33 9.524 2.994 4.046 1.00 0.35 H new ATOM 512 N SER A 34 11.364 5.314 8.599 1.00 0.66 N ATOM 513 CA SER A 34 12.246 6.208 9.330 1.00 0.80 C ATOM 514 C SER A 34 13.713 5.978 8.956 1.00 0.86 C ATOM 515 O SER A 34 14.517 6.911 8.942 1.00 0.96 O ATOM 516 CB SER A 34 12.036 5.980 10.824 1.00 0.92 C ATOM 517 OG SER A 34 11.230 4.829 11.037 1.00 1.02 O ATOM 0 H SER A 34 10.826 4.683 9.193 1.00 0.66 H new ATOM 0 HA SER A 34 12.006 7.239 9.069 1.00 0.80 H new ATOM 0 HB2 SER A 34 12.999 5.855 11.319 1.00 0.92 H new ATOM 0 HB3 SER A 34 11.560 6.854 11.269 1.00 0.92 H new ATOM 0 HG SER A 34 10.357 5.102 11.389 1.00 1.02 H new ATOM 523 N THR A 35 14.069 4.722 8.719 1.00 0.82 N ATOM 524 CA THR A 35 15.451 4.361 8.445 1.00 0.91 C ATOM 525 C THR A 35 15.811 4.522 6.968 1.00 0.92 C ATOM 526 O THR A 35 16.966 4.339 6.585 1.00 1.11 O ATOM 527 CB THR A 35 15.724 2.913 8.876 1.00 0.89 C ATOM 528 OG1 THR A 35 14.516 2.324 9.374 1.00 0.85 O ATOM 529 CG2 THR A 35 16.801 2.861 9.949 1.00 1.08 C ATOM 0 H THR A 35 13.418 3.937 8.711 1.00 0.82 H new ATOM 0 HA THR A 35 16.074 5.045 9.022 1.00 0.91 H new ATOM 0 HB THR A 35 16.075 2.354 8.009 1.00 0.89 H new ATOM 0 HG1 THR A 35 14.691 1.399 9.647 1.00 0.85 H new ATOM 0 HG21 THR A 35 16.977 1.825 10.238 1.00 1.08 H new ATOM 0 HG22 THR A 35 17.724 3.291 9.559 1.00 1.08 H new ATOM 0 HG23 THR A 35 16.475 3.430 10.820 1.00 1.08 H new ATOM 537 N TRP A 36 14.838 4.889 6.144 1.00 0.80 N ATOM 538 CA TRP A 36 15.097 5.086 4.725 1.00 0.83 C ATOM 539 C TRP A 36 15.816 6.408 4.489 1.00 1.00 C ATOM 540 O TRP A 36 15.394 7.452 4.993 1.00 1.09 O ATOM 541 CB TRP A 36 13.798 5.051 3.917 1.00 0.74 C ATOM 542 CG TRP A 36 14.024 4.864 2.447 1.00 0.78 C ATOM 543 CD1 TRP A 36 13.784 5.772 1.455 1.00 0.86 C ATOM 544 CD2 TRP A 36 14.545 3.695 1.801 1.00 0.87 C ATOM 545 NE1 TRP A 36 14.115 5.236 0.234 1.00 0.97 N ATOM 546 CE2 TRP A 36 14.585 3.963 0.421 1.00 0.98 C ATOM 547 CE3 TRP A 36 14.977 2.448 2.257 1.00 0.97 C ATOM 548 CZ2 TRP A 36 15.043 3.028 -0.507 1.00 1.14 C ATOM 549 CZ3 TRP A 36 15.432 1.524 1.336 1.00 1.14 C ATOM 550 CH2 TRP A 36 15.461 1.818 -0.031 1.00 1.21 C ATOM 0 H TRP A 36 13.873 5.055 6.430 1.00 0.80 H new ATOM 0 HA TRP A 36 15.736 4.269 4.389 1.00 0.83 H new ATOM 0 HB2 TRP A 36 13.169 4.242 4.287 1.00 0.74 H new ATOM 0 HB3 TRP A 36 13.251 5.980 4.079 1.00 0.74 H new ATOM 0 HD1 TRP A 36 13.391 6.766 1.608 1.00 0.86 H new ATOM 0 HE1 TRP A 36 14.025 5.709 -0.665 1.00 0.97 H new ATOM 0 HE3 TRP A 36 14.956 2.210 3.310 1.00 0.97 H new ATOM 0 HZ2 TRP A 36 15.066 3.253 -1.563 1.00 1.14 H new ATOM 0 HZ3 TRP A 36 15.771 0.557 1.678 1.00 1.14 H new ATOM 0 HH2 TRP A 36 15.821 1.073 -0.725 1.00 1.21 H new ATOM 561 N PRO A 37 16.938 6.371 3.755 1.00 1.20 N ATOM 562 CA PRO A 37 17.729 7.559 3.440 1.00 1.44 C ATOM 563 C PRO A 37 17.051 8.420 2.372 1.00 1.34 C ATOM 564 O PRO A 37 15.830 8.599 2.384 1.00 1.49 O ATOM 565 CB PRO A 37 19.060 6.988 2.913 1.00 1.76 C ATOM 566 CG PRO A 37 19.001 5.518 3.168 1.00 1.78 C ATOM 567 CD PRO A 37 17.547 5.161 3.197 1.00 1.34 C ATOM 0 HA PRO A 37 17.856 8.210 4.305 1.00 1.44 H new ATOM 0 HB2 PRO A 37 19.181 7.196 1.850 1.00 1.76 H new ATOM 0 HB3 PRO A 37 19.910 7.440 3.425 1.00 1.76 H new ATOM 0 HG2 PRO A 37 19.523 4.965 2.387 1.00 1.78 H new ATOM 0 HG3 PRO A 37 19.483 5.266 4.113 1.00 1.78 H new ATOM 0 HD2 PRO A 37 17.164 4.935 2.202 1.00 1.34 H new ATOM 0 HD3 PRO A 37 17.356 4.286 3.818 1.00 1.34 H new ATOM 575 N ASP A 38 17.839 8.955 1.452 1.00 1.33 N ATOM 576 CA ASP A 38 17.305 9.792 0.384 1.00 1.35 C ATOM 577 C ASP A 38 16.523 8.956 -0.629 1.00 1.29 C ATOM 578 O ASP A 38 17.053 8.002 -1.198 1.00 1.42 O ATOM 579 CB ASP A 38 18.434 10.542 -0.322 1.00 1.65 C ATOM 580 CG ASP A 38 18.014 11.073 -1.676 1.00 1.90 C ATOM 581 OD1 ASP A 38 17.128 11.943 -1.728 1.00 2.28 O ATOM 582 OD2 ASP A 38 18.573 10.624 -2.696 1.00 2.16 O ATOM 0 H ASP A 38 18.850 8.826 1.422 1.00 1.33 H new ATOM 0 HA ASP A 38 16.624 10.515 0.834 1.00 1.35 H new ATOM 0 HB2 ASP A 38 18.763 11.371 0.304 1.00 1.65 H new ATOM 0 HB3 ASP A 38 19.288 9.876 -0.445 1.00 1.65 H new ATOM 587 N PRO A 39 15.234 9.278 -0.835 1.00 1.31 N ATOM 588 CA PRO A 39 14.363 8.527 -1.745 1.00 1.44 C ATOM 589 C PRO A 39 14.568 8.904 -3.213 1.00 1.61 C ATOM 590 O PRO A 39 13.958 8.314 -4.107 1.00 1.84 O ATOM 591 CB PRO A 39 12.962 8.919 -1.280 1.00 1.62 C ATOM 592 CG PRO A 39 13.118 10.293 -0.728 1.00 1.69 C ATOM 593 CD PRO A 39 14.505 10.362 -0.146 1.00 1.44 C ATOM 0 HA PRO A 39 14.563 7.456 -1.708 1.00 1.44 H new ATOM 0 HB2 PRO A 39 12.251 8.902 -2.106 1.00 1.62 H new ATOM 0 HB3 PRO A 39 12.588 8.229 -0.524 1.00 1.62 H new ATOM 0 HG2 PRO A 39 12.987 11.042 -1.509 1.00 1.69 H new ATOM 0 HG3 PRO A 39 12.366 10.493 0.035 1.00 1.69 H new ATOM 0 HD2 PRO A 39 14.967 11.332 -0.328 1.00 1.44 H new ATOM 0 HD3 PRO A 39 14.493 10.212 0.934 1.00 1.44 H new ATOM 601 N GLU A 40 15.455 9.858 -3.467 1.00 1.57 N ATOM 602 CA GLU A 40 15.764 10.254 -4.831 1.00 1.76 C ATOM 603 C GLU A 40 16.752 9.268 -5.446 1.00 1.76 C ATOM 604 O GLU A 40 16.494 8.689 -6.501 1.00 1.90 O ATOM 605 CB GLU A 40 16.337 11.674 -4.868 1.00 1.90 C ATOM 606 CG GLU A 40 15.282 12.761 -5.002 1.00 2.12 C ATOM 607 CD GLU A 40 14.268 12.463 -6.087 1.00 2.36 C ATOM 608 OE1 GLU A 40 14.670 12.019 -7.182 1.00 2.91 O ATOM 609 OE2 GLU A 40 13.061 12.669 -5.851 1.00 2.63 O ATOM 0 H GLU A 40 15.970 10.368 -2.749 1.00 1.57 H new ATOM 0 HA GLU A 40 14.842 10.245 -5.413 1.00 1.76 H new ATOM 0 HB2 GLU A 40 16.910 11.848 -3.957 1.00 1.90 H new ATOM 0 HB3 GLU A 40 17.034 11.753 -5.703 1.00 1.90 H new ATOM 0 HG2 GLU A 40 14.765 12.878 -4.050 1.00 2.12 H new ATOM 0 HG3 GLU A 40 15.771 13.711 -5.219 1.00 2.12 H new ATOM 616 N SER A 41 17.850 9.030 -4.742 1.00 1.67 N ATOM 617 CA SER A 41 18.854 8.073 -5.186 1.00 1.75 C ATOM 618 C SER A 41 18.410 6.641 -4.884 1.00 1.63 C ATOM 619 O SER A 41 18.855 5.692 -5.530 1.00 1.67 O ATOM 620 CB SER A 41 20.200 8.366 -4.515 1.00 1.82 C ATOM 621 OG SER A 41 20.371 9.759 -4.301 1.00 1.89 O ATOM 0 H SER A 41 18.069 9.489 -3.858 1.00 1.67 H new ATOM 0 HA SER A 41 18.970 8.174 -6.265 1.00 1.75 H new ATOM 0 HB2 SER A 41 20.258 7.839 -3.563 1.00 1.82 H new ATOM 0 HB3 SER A 41 21.011 7.988 -5.138 1.00 1.82 H new ATOM 0 HG SER A 41 19.939 10.016 -3.460 1.00 1.89 H new ATOM 627 N PHE A 42 17.493 6.497 -3.934 1.00 1.51 N ATOM 628 CA PHE A 42 16.944 5.192 -3.587 1.00 1.41 C ATOM 629 C PHE A 42 15.443 5.164 -3.869 1.00 1.27 C ATOM 630 O PHE A 42 14.652 5.727 -3.112 1.00 1.40 O ATOM 631 CB PHE A 42 17.220 4.875 -2.119 1.00 1.58 C ATOM 632 CG PHE A 42 18.678 4.706 -1.803 1.00 2.08 C ATOM 633 CD1 PHE A 42 19.496 3.952 -2.628 1.00 2.54 C ATOM 634 CD2 PHE A 42 19.230 5.301 -0.681 1.00 2.38 C ATOM 635 CE1 PHE A 42 20.838 3.796 -2.339 1.00 3.12 C ATOM 636 CE2 PHE A 42 20.570 5.149 -0.386 1.00 3.01 C ATOM 637 CZ PHE A 42 21.376 4.395 -1.217 1.00 3.32 C ATOM 0 H PHE A 42 17.113 7.271 -3.389 1.00 1.51 H new ATOM 0 HA PHE A 42 17.428 4.431 -4.200 1.00 1.41 H new ATOM 0 HB2 PHE A 42 16.813 5.675 -1.501 1.00 1.58 H new ATOM 0 HB3 PHE A 42 16.690 3.962 -1.848 1.00 1.58 H new ATOM 0 HD1 PHE A 42 19.080 3.481 -3.507 1.00 2.54 H new ATOM 0 HD2 PHE A 42 18.604 5.892 -0.028 1.00 2.38 H new ATOM 0 HE1 PHE A 42 21.466 3.206 -2.990 1.00 3.12 H new ATOM 0 HE2 PHE A 42 20.987 5.618 0.493 1.00 3.01 H new ATOM 0 HZ PHE A 42 22.425 4.274 -0.990 1.00 3.32 H new ATOM 647 N PRO A 43 15.058 4.634 -5.042 1.00 1.24 N ATOM 648 CA PRO A 43 13.674 4.690 -5.537 1.00 1.33 C ATOM 649 C PRO A 43 12.653 4.057 -4.598 1.00 1.26 C ATOM 650 O PRO A 43 11.600 4.642 -4.347 1.00 1.97 O ATOM 651 CB PRO A 43 13.734 3.911 -6.851 1.00 1.58 C ATOM 652 CG PRO A 43 15.144 4.052 -7.301 1.00 1.75 C ATOM 653 CD PRO A 43 15.974 4.071 -6.049 1.00 1.40 C ATOM 0 HA PRO A 43 13.341 5.723 -5.637 1.00 1.33 H new ATOM 0 HB2 PRO A 43 13.466 2.865 -6.705 1.00 1.58 H new ATOM 0 HB3 PRO A 43 13.040 4.318 -7.586 1.00 1.58 H new ATOM 0 HG2 PRO A 43 15.432 3.224 -7.949 1.00 1.75 H new ATOM 0 HG3 PRO A 43 15.281 4.968 -7.875 1.00 1.75 H new ATOM 0 HD2 PRO A 43 16.309 3.071 -5.773 1.00 1.40 H new ATOM 0 HD3 PRO A 43 16.867 4.685 -6.168 1.00 1.40 H new ATOM 661 N LEU A 44 12.932 2.833 -4.152 1.00 0.98 N ATOM 662 CA LEU A 44 12.003 2.075 -3.311 1.00 0.82 C ATOM 663 C LEU A 44 10.705 1.763 -4.060 1.00 0.78 C ATOM 664 O LEU A 44 9.834 2.619 -4.220 1.00 0.98 O ATOM 665 CB LEU A 44 11.688 2.821 -2.006 1.00 0.83 C ATOM 666 CG LEU A 44 11.583 1.941 -0.754 1.00 0.70 C ATOM 667 CD1 LEU A 44 11.251 2.786 0.463 1.00 1.54 C ATOM 668 CD2 LEU A 44 10.533 0.857 -0.938 1.00 1.29 C ATOM 0 H LEU A 44 13.801 2.341 -4.361 1.00 0.98 H new ATOM 0 HA LEU A 44 12.495 1.135 -3.060 1.00 0.82 H new ATOM 0 HB2 LEU A 44 12.463 3.570 -1.839 1.00 0.83 H new ATOM 0 HB3 LEU A 44 10.748 3.358 -2.132 1.00 0.83 H new ATOM 0 HG LEU A 44 12.549 1.461 -0.598 1.00 0.70 H new ATOM 0 HD11 LEU A 44 11.180 2.146 1.342 1.00 1.54 H new ATOM 0 HD12 LEU A 44 12.035 3.527 0.616 1.00 1.54 H new ATOM 0 HD13 LEU A 44 10.299 3.292 0.305 1.00 1.54 H new ATOM 0 HD21 LEU A 44 10.478 0.247 -0.036 1.00 1.29 H new ATOM 0 HD22 LEU A 44 9.563 1.318 -1.124 1.00 1.29 H new ATOM 0 HD23 LEU A 44 10.804 0.228 -1.786 1.00 1.29 H new ATOM 680 N LYS A 45 10.537 0.501 -4.406 1.00 0.70 N ATOM 681 CA LYS A 45 9.308 0.032 -5.012 1.00 0.68 C ATOM 682 C LYS A 45 8.362 -0.475 -3.930 1.00 0.60 C ATOM 683 O LYS A 45 8.638 -1.483 -3.274 1.00 0.76 O ATOM 684 CB LYS A 45 9.605 -1.086 -6.012 1.00 0.78 C ATOM 685 CG LYS A 45 8.940 -0.892 -7.361 1.00 1.13 C ATOM 686 CD LYS A 45 9.623 -1.715 -8.438 1.00 1.25 C ATOM 687 CE LYS A 45 8.949 -1.543 -9.788 1.00 1.41 C ATOM 688 NZ LYS A 45 9.936 -1.409 -10.891 1.00 1.75 N ATOM 0 H LYS A 45 11.244 -0.223 -4.276 1.00 0.70 H new ATOM 0 HA LYS A 45 8.836 0.859 -5.542 1.00 0.68 H new ATOM 0 HB2 LYS A 45 10.683 -1.156 -6.155 1.00 0.78 H new ATOM 0 HB3 LYS A 45 9.278 -2.036 -5.589 1.00 0.78 H new ATOM 0 HG2 LYS A 45 7.890 -1.176 -7.295 1.00 1.13 H new ATOM 0 HG3 LYS A 45 8.968 0.163 -7.634 1.00 1.13 H new ATOM 0 HD2 LYS A 45 10.669 -1.419 -8.513 1.00 1.25 H new ATOM 0 HD3 LYS A 45 9.609 -2.768 -8.156 1.00 1.25 H new ATOM 0 HE2 LYS A 45 8.303 -2.399 -9.982 1.00 1.41 H new ATOM 0 HE3 LYS A 45 8.310 -0.660 -9.764 1.00 1.41 H new ATOM 0 HZ1 LYS A 45 9.499 -0.905 -11.689 1.00 1.75 H new ATOM 0 HZ2 LYS A 45 10.762 -0.874 -10.555 1.00 1.75 H new ATOM 0 HZ3 LYS A 45 10.239 -2.354 -11.202 1.00 1.75 H new ATOM 702 N PHE A 46 7.278 0.250 -3.712 1.00 0.46 N ATOM 703 CA PHE A 46 6.297 -0.135 -2.714 1.00 0.41 C ATOM 704 C PHE A 46 5.323 -1.135 -3.316 1.00 0.44 C ATOM 705 O PHE A 46 4.860 -0.953 -4.439 1.00 0.58 O ATOM 706 CB PHE A 46 5.536 1.091 -2.202 1.00 0.42 C ATOM 707 CG PHE A 46 6.362 2.006 -1.345 1.00 0.37 C ATOM 708 CD1 PHE A 46 6.488 1.776 0.016 1.00 0.41 C ATOM 709 CD2 PHE A 46 7.006 3.101 -1.899 1.00 0.45 C ATOM 710 CE1 PHE A 46 7.242 2.621 0.807 1.00 0.47 C ATOM 711 CE2 PHE A 46 7.759 3.950 -1.112 1.00 0.48 C ATOM 712 CZ PHE A 46 7.877 3.710 0.242 1.00 0.47 C ATOM 0 H PHE A 46 7.056 1.110 -4.214 1.00 0.46 H new ATOM 0 HA PHE A 46 6.816 -0.594 -1.872 1.00 0.41 H new ATOM 0 HB2 PHE A 46 5.156 1.653 -3.055 1.00 0.42 H new ATOM 0 HB3 PHE A 46 4.671 0.756 -1.630 1.00 0.42 H new ATOM 0 HD1 PHE A 46 5.992 0.927 0.463 1.00 0.41 H new ATOM 0 HD2 PHE A 46 6.918 3.293 -2.958 1.00 0.45 H new ATOM 0 HE1 PHE A 46 7.335 2.430 1.866 1.00 0.47 H new ATOM 0 HE2 PHE A 46 8.255 4.801 -1.556 1.00 0.48 H new ATOM 0 HZ PHE A 46 8.465 4.373 0.859 1.00 0.47 H new ATOM 722 N PHE A 47 5.053 -2.211 -2.599 1.00 0.40 N ATOM 723 CA PHE A 47 4.164 -3.248 -3.102 1.00 0.44 C ATOM 724 C PHE A 47 2.849 -3.232 -2.348 1.00 0.39 C ATOM 725 O PHE A 47 2.829 -3.287 -1.120 1.00 0.59 O ATOM 726 CB PHE A 47 4.829 -4.617 -3.001 1.00 0.55 C ATOM 727 CG PHE A 47 6.072 -4.712 -3.831 1.00 0.53 C ATOM 728 CD1 PHE A 47 5.995 -4.747 -5.215 1.00 0.60 C ATOM 729 CD2 PHE A 47 7.317 -4.741 -3.232 1.00 0.65 C ATOM 730 CE1 PHE A 47 7.140 -4.810 -5.982 1.00 0.68 C ATOM 731 CE2 PHE A 47 8.463 -4.799 -3.994 1.00 0.75 C ATOM 732 CZ PHE A 47 8.375 -4.835 -5.371 1.00 0.73 C ATOM 0 H PHE A 47 5.434 -2.391 -1.670 1.00 0.40 H new ATOM 0 HA PHE A 47 3.957 -3.046 -4.153 1.00 0.44 H new ATOM 0 HB2 PHE A 47 5.075 -4.822 -1.959 1.00 0.55 H new ATOM 0 HB3 PHE A 47 4.124 -5.385 -3.319 1.00 0.55 H new ATOM 0 HD1 PHE A 47 5.029 -4.725 -5.697 1.00 0.60 H new ATOM 0 HD2 PHE A 47 7.392 -4.718 -2.155 1.00 0.65 H new ATOM 0 HE1 PHE A 47 7.069 -4.840 -7.059 1.00 0.68 H new ATOM 0 HE2 PHE A 47 9.430 -4.816 -3.514 1.00 0.75 H new ATOM 0 HZ PHE A 47 9.273 -4.883 -5.969 1.00 0.73 H new ATOM 742 N LEU A 48 1.769 -3.041 -3.084 1.00 0.33 N ATOM 743 CA LEU A 48 0.455 -2.888 -2.488 1.00 0.35 C ATOM 744 C LEU A 48 -0.506 -3.967 -2.976 1.00 0.35 C ATOM 745 O LEU A 48 -0.692 -4.152 -4.179 1.00 0.57 O ATOM 746 CB LEU A 48 -0.101 -1.501 -2.831 1.00 0.44 C ATOM 747 CG LEU A 48 -1.332 -1.070 -2.032 1.00 0.72 C ATOM 748 CD1 LEU A 48 -1.150 0.336 -1.487 1.00 1.02 C ATOM 749 CD2 LEU A 48 -2.582 -1.144 -2.895 1.00 1.05 C ATOM 0 H LEU A 48 1.777 -2.988 -4.103 1.00 0.33 H new ATOM 0 HA LEU A 48 0.554 -2.992 -1.407 1.00 0.35 H new ATOM 0 HB2 LEU A 48 0.687 -0.764 -2.677 1.00 0.44 H new ATOM 0 HB3 LEU A 48 -0.352 -1.481 -3.891 1.00 0.44 H new ATOM 0 HG LEU A 48 -1.450 -1.754 -1.192 1.00 0.72 H new ATOM 0 HD11 LEU A 48 -2.036 0.625 -0.922 1.00 1.02 H new ATOM 0 HD12 LEU A 48 -0.278 0.363 -0.834 1.00 1.02 H new ATOM 0 HD13 LEU A 48 -1.005 1.031 -2.314 1.00 1.02 H new ATOM 0 HD21 LEU A 48 -3.447 -0.834 -2.309 1.00 1.05 H new ATOM 0 HD22 LEU A 48 -2.470 -0.484 -3.755 1.00 1.05 H new ATOM 0 HD23 LEU A 48 -2.726 -2.168 -3.240 1.00 1.05 H new ATOM 761 N ARG A 49 -1.198 -4.586 -2.034 1.00 0.26 N ATOM 762 CA ARG A 49 -2.271 -5.518 -2.349 1.00 0.27 C ATOM 763 C ARG A 49 -3.473 -5.179 -1.487 1.00 0.24 C ATOM 764 O ARG A 49 -3.318 -4.867 -0.310 1.00 0.30 O ATOM 765 CB ARG A 49 -1.852 -6.975 -2.112 1.00 0.34 C ATOM 766 CG ARG A 49 -0.706 -7.145 -1.136 1.00 0.44 C ATOM 767 CD ARG A 49 0.325 -8.120 -1.667 1.00 0.75 C ATOM 768 NE ARG A 49 0.036 -9.498 -1.268 1.00 1.07 N ATOM 769 CZ ARG A 49 -0.107 -10.509 -2.127 1.00 1.28 C ATOM 770 NH1 ARG A 49 -0.103 -10.277 -3.435 1.00 1.64 N ATOM 771 NH2 ARG A 49 -0.285 -11.746 -1.676 1.00 2.02 N ATOM 0 H ARG A 49 -1.034 -4.459 -1.035 1.00 0.26 H new ATOM 0 HA ARG A 49 -2.517 -5.421 -3.407 1.00 0.27 H new ATOM 0 HB2 ARG A 49 -2.713 -7.533 -1.743 1.00 0.34 H new ATOM 0 HB3 ARG A 49 -1.569 -7.419 -3.067 1.00 0.34 H new ATOM 0 HG2 ARG A 49 -0.236 -6.179 -0.951 1.00 0.44 H new ATOM 0 HG3 ARG A 49 -1.089 -7.501 -0.180 1.00 0.44 H new ATOM 0 HD2 ARG A 49 0.357 -8.057 -2.755 1.00 0.75 H new ATOM 0 HD3 ARG A 49 1.313 -7.837 -1.303 1.00 0.75 H new ATOM 0 HE ARG A 49 -0.062 -9.698 -0.273 1.00 1.07 H new ATOM 0 HH11 ARG A 49 0.010 -9.325 -3.784 1.00 1.64 H new ATOM 0 HH12 ARG A 49 -0.212 -11.051 -4.091 1.00 1.64 H new ATOM 0 HH21 ARG A 49 -0.312 -11.924 -0.672 1.00 2.02 H new ATOM 0 HH22 ARG A 49 -0.394 -12.518 -2.334 1.00 2.02 H new ATOM 785 N TYR A 50 -4.656 -5.171 -2.079 1.00 0.26 N ATOM 786 CA TYR A 50 -5.859 -4.789 -1.354 1.00 0.27 C ATOM 787 C TYR A 50 -6.949 -5.847 -1.513 1.00 0.28 C ATOM 788 O TYR A 50 -7.603 -5.935 -2.551 1.00 0.36 O ATOM 789 CB TYR A 50 -6.357 -3.403 -1.806 1.00 0.35 C ATOM 790 CG TYR A 50 -6.377 -3.170 -3.309 1.00 0.49 C ATOM 791 CD1 TYR A 50 -5.194 -3.006 -4.020 1.00 0.70 C ATOM 792 CD2 TYR A 50 -7.573 -3.150 -4.021 1.00 0.60 C ATOM 793 CE1 TYR A 50 -5.200 -2.817 -5.389 1.00 0.90 C ATOM 794 CE2 TYR A 50 -7.587 -2.967 -5.391 1.00 0.79 C ATOM 795 CZ TYR A 50 -6.428 -2.686 -6.052 1.00 0.90 C ATOM 796 OH TYR A 50 -6.409 -2.620 -7.435 1.00 1.13 O ATOM 0 H TYR A 50 -4.810 -5.423 -3.055 1.00 0.26 H new ATOM 0 HA TYR A 50 -5.610 -4.723 -0.295 1.00 0.27 H new ATOM 0 HB2 TYR A 50 -7.366 -3.256 -1.420 1.00 0.35 H new ATOM 0 HB3 TYR A 50 -5.726 -2.642 -1.347 1.00 0.35 H new ATOM 0 HD1 TYR A 50 -4.252 -3.027 -3.492 1.00 0.70 H new ATOM 0 HD2 TYR A 50 -8.507 -3.280 -3.494 1.00 0.60 H new ATOM 0 HE1 TYR A 50 -4.272 -2.771 -5.940 1.00 0.90 H new ATOM 0 HE2 TYR A 50 -8.515 -3.047 -5.937 1.00 0.79 H new ATOM 0 HH TYR A 50 -7.325 -2.531 -7.771 1.00 1.13 H new ATOM 806 N ARG A 51 -7.064 -6.704 -0.508 1.00 0.29 N ATOM 807 CA ARG A 51 -8.034 -7.794 -0.520 1.00 0.34 C ATOM 808 C ARG A 51 -9.342 -7.388 0.159 1.00 0.29 C ATOM 809 O ARG A 51 -9.345 -6.988 1.324 1.00 0.33 O ATOM 810 CB ARG A 51 -7.451 -9.020 0.189 1.00 0.46 C ATOM 811 CG ARG A 51 -8.170 -10.320 -0.130 1.00 0.64 C ATOM 812 CD ARG A 51 -8.453 -11.134 1.126 1.00 1.25 C ATOM 813 NE ARG A 51 -7.385 -12.094 1.410 1.00 1.72 N ATOM 814 CZ ARG A 51 -6.596 -12.036 2.483 1.00 2.29 C ATOM 815 NH1 ARG A 51 -6.843 -11.155 3.444 1.00 2.62 N ATOM 816 NH2 ARG A 51 -5.585 -12.887 2.615 1.00 3.10 N ATOM 0 H ARG A 51 -6.491 -6.665 0.335 1.00 0.29 H new ATOM 0 HA ARG A 51 -8.250 -8.035 -1.561 1.00 0.34 H new ATOM 0 HB2 ARG A 51 -6.401 -9.121 -0.086 1.00 0.46 H new ATOM 0 HB3 ARG A 51 -7.484 -8.854 1.266 1.00 0.46 H new ATOM 0 HG2 ARG A 51 -9.108 -10.101 -0.640 1.00 0.64 H new ATOM 0 HG3 ARG A 51 -7.564 -10.911 -0.817 1.00 0.64 H new ATOM 0 HD2 ARG A 51 -8.571 -10.461 1.975 1.00 1.25 H new ATOM 0 HD3 ARG A 51 -9.397 -11.666 1.008 1.00 1.25 H new ATOM 0 HE ARG A 51 -7.235 -12.854 0.746 1.00 1.72 H new ATOM 0 HH11 ARG A 51 -7.638 -10.521 3.362 1.00 2.62 H new ATOM 0 HH12 ARG A 51 -6.238 -11.112 4.264 1.00 2.62 H new ATOM 0 HH21 ARG A 51 -5.410 -13.587 1.894 1.00 3.10 H new ATOM 0 HH22 ARG A 51 -4.983 -12.840 3.437 1.00 3.10 H new ATOM 830 N PRO A 52 -10.481 -7.556 -0.529 1.00 0.32 N ATOM 831 CA PRO A 52 -11.795 -7.342 0.077 1.00 0.38 C ATOM 832 C PRO A 52 -12.071 -8.377 1.165 1.00 0.44 C ATOM 833 O PRO A 52 -11.611 -9.514 1.081 1.00 0.51 O ATOM 834 CB PRO A 52 -12.774 -7.518 -1.088 1.00 0.52 C ATOM 835 CG PRO A 52 -12.040 -8.332 -2.097 1.00 0.65 C ATOM 836 CD PRO A 52 -10.578 -8.019 -1.921 1.00 0.45 C ATOM 0 HA PRO A 52 -11.876 -6.367 0.557 1.00 0.38 H new ATOM 0 HB2 PRO A 52 -13.685 -8.021 -0.764 1.00 0.52 H new ATOM 0 HB3 PRO A 52 -13.072 -6.554 -1.501 1.00 0.52 H new ATOM 0 HG2 PRO A 52 -12.229 -9.395 -1.949 1.00 0.65 H new ATOM 0 HG3 PRO A 52 -12.370 -8.087 -3.107 1.00 0.65 H new ATOM 0 HD2 PRO A 52 -9.957 -8.898 -2.094 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -10.246 -7.252 -2.621 1.00 0.45 H new ATOM 844 N LEU A 53 -12.743 -7.961 2.227 1.00 0.50 N ATOM 845 CA LEU A 53 -12.959 -8.832 3.381 1.00 0.65 C ATOM 846 C LEU A 53 -13.861 -10.023 3.050 1.00 0.81 C ATOM 847 O LEU A 53 -13.990 -10.948 3.851 1.00 1.22 O ATOM 848 CB LEU A 53 -13.557 -8.034 4.540 1.00 0.70 C ATOM 849 CG LEU A 53 -12.607 -7.778 5.715 1.00 0.82 C ATOM 850 CD1 LEU A 53 -12.470 -9.024 6.573 1.00 1.32 C ATOM 851 CD2 LEU A 53 -11.242 -7.321 5.218 1.00 1.40 C ATOM 0 H LEU A 53 -13.149 -7.030 2.318 1.00 0.50 H new ATOM 0 HA LEU A 53 -11.986 -9.229 3.670 1.00 0.65 H new ATOM 0 HB2 LEU A 53 -13.904 -7.074 4.158 1.00 0.70 H new ATOM 0 HB3 LEU A 53 -14.434 -8.565 4.911 1.00 0.70 H new ATOM 0 HG LEU A 53 -13.032 -6.982 6.327 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -11.792 -8.822 7.402 1.00 1.32 H new ATOM 0 HD12 LEU A 53 -13.448 -9.305 6.964 1.00 1.32 H new ATOM 0 HD13 LEU A 53 -12.072 -9.840 5.969 1.00 1.32 H new ATOM 0 HD21 LEU A 53 -10.585 -7.145 6.070 1.00 1.40 H new ATOM 0 HD22 LEU A 53 -10.811 -8.092 4.579 1.00 1.40 H new ATOM 0 HD23 LEU A 53 -11.352 -6.398 4.649 1.00 1.40 H new ATOM 863 N ILE A 54 -14.517 -9.983 1.897 1.00 0.85 N ATOM 864 CA ILE A 54 -15.444 -11.044 1.517 1.00 1.01 C ATOM 865 C ILE A 54 -14.958 -11.817 0.294 1.00 1.08 C ATOM 866 O ILE A 54 -15.661 -12.690 -0.213 1.00 1.34 O ATOM 867 CB ILE A 54 -16.844 -10.481 1.211 1.00 1.16 C ATOM 868 CG1 ILE A 54 -16.762 -9.424 0.109 1.00 1.12 C ATOM 869 CG2 ILE A 54 -17.466 -9.901 2.469 1.00 1.27 C ATOM 870 CD1 ILE A 54 -18.025 -9.311 -0.718 1.00 1.46 C ATOM 0 H ILE A 54 -14.426 -9.233 1.212 1.00 0.85 H new ATOM 0 HA ILE A 54 -15.495 -11.720 2.370 1.00 1.01 H new ATOM 0 HB ILE A 54 -17.479 -11.294 0.859 1.00 1.16 H new ATOM 0 HG12 ILE A 54 -16.546 -8.456 0.561 1.00 1.12 H new ATOM 0 HG13 ILE A 54 -15.927 -9.662 -0.550 1.00 1.12 H new ATOM 0 HG21 ILE A 54 -18.455 -9.507 2.237 1.00 1.27 H new ATOM 0 HG22 ILE A 54 -17.554 -10.682 3.224 1.00 1.27 H new ATOM 0 HG23 ILE A 54 -16.835 -9.098 2.850 1.00 1.27 H new ATOM 0 HD11 ILE A 54 -17.894 -8.542 -1.479 1.00 1.46 H new ATOM 0 HD12 ILE A 54 -18.232 -10.267 -1.199 1.00 1.46 H new ATOM 0 HD13 ILE A 54 -18.860 -9.042 -0.071 1.00 1.46 H new ATOM 882 N LEU A 55 -13.763 -11.501 -0.183 1.00 0.95 N ATOM 883 CA LEU A 55 -13.216 -12.181 -1.349 1.00 1.10 C ATOM 884 C LEU A 55 -11.699 -12.158 -1.317 1.00 1.12 C ATOM 885 O LEU A 55 -11.093 -11.121 -1.065 1.00 1.51 O ATOM 886 CB LEU A 55 -13.722 -11.526 -2.637 1.00 1.25 C ATOM 887 CG LEU A 55 -14.040 -12.495 -3.776 1.00 1.48 C ATOM 888 CD1 LEU A 55 -15.247 -12.014 -4.561 1.00 1.69 C ATOM 889 CD2 LEU A 55 -12.835 -12.652 -4.690 1.00 2.11 C ATOM 0 H LEU A 55 -13.157 -10.784 0.215 1.00 0.95 H new ATOM 0 HA LEU A 55 -13.551 -13.218 -1.327 1.00 1.10 H new ATOM 0 HB2 LEU A 55 -14.620 -10.954 -2.406 1.00 1.25 H new ATOM 0 HB3 LEU A 55 -12.972 -10.816 -2.984 1.00 1.25 H new ATOM 0 HG LEU A 55 -14.276 -13.469 -3.347 1.00 1.48 H new ATOM 0 HD11 LEU A 55 -15.459 -12.715 -5.368 1.00 1.69 H new ATOM 0 HD12 LEU A 55 -16.110 -11.951 -3.899 1.00 1.69 H new ATOM 0 HD13 LEU A 55 -15.039 -11.030 -4.981 1.00 1.69 H new ATOM 0 HD21 LEU A 55 -13.077 -13.345 -5.496 1.00 2.11 H new ATOM 0 HD22 LEU A 55 -12.570 -11.683 -5.112 1.00 2.11 H new ATOM 0 HD23 LEU A 55 -11.993 -13.041 -4.118 1.00 2.11 H new ATOM 901 N ASP A 56 -11.088 -13.296 -1.591 1.00 1.38 N ATOM 902 CA ASP A 56 -9.634 -13.398 -1.584 1.00 1.54 C ATOM 903 C ASP A 56 -9.044 -12.865 -2.884 1.00 1.19 C ATOM 904 O ASP A 56 -8.538 -13.619 -3.717 1.00 1.44 O ATOM 905 CB ASP A 56 -9.193 -14.842 -1.359 1.00 2.08 C ATOM 906 CG ASP A 56 -7.715 -14.946 -1.046 1.00 2.58 C ATOM 907 OD1 ASP A 56 -7.280 -14.372 -0.025 1.00 2.90 O ATOM 908 OD2 ASP A 56 -6.981 -15.597 -1.821 1.00 2.89 O ATOM 0 H ASP A 56 -11.572 -14.164 -1.821 1.00 1.38 H new ATOM 0 HA ASP A 56 -9.262 -12.788 -0.761 1.00 1.54 H new ATOM 0 HB2 ASP A 56 -9.768 -15.272 -0.539 1.00 2.08 H new ATOM 0 HB3 ASP A 56 -9.417 -15.431 -2.248 1.00 2.08 H new ATOM 913 N GLN A 57 -9.140 -11.559 -3.059 1.00 0.83 N ATOM 914 CA GLN A 57 -8.642 -10.897 -4.255 1.00 0.93 C ATOM 915 C GLN A 57 -7.337 -10.162 -3.960 1.00 0.79 C ATOM 916 O GLN A 57 -7.321 -8.935 -3.850 1.00 0.82 O ATOM 917 CB GLN A 57 -9.684 -9.901 -4.779 1.00 1.30 C ATOM 918 CG GLN A 57 -10.205 -10.211 -6.175 1.00 1.81 C ATOM 919 CD GLN A 57 -9.144 -10.785 -7.095 1.00 2.19 C ATOM 920 OE1 GLN A 57 -8.011 -10.305 -7.144 1.00 2.89 O ATOM 921 NE2 GLN A 57 -9.512 -11.805 -7.846 1.00 2.43 N ATOM 0 H GLN A 57 -9.564 -10.928 -2.379 1.00 0.83 H new ATOM 0 HA GLN A 57 -8.454 -11.657 -5.013 1.00 0.93 H new ATOM 0 HB2 GLN A 57 -10.526 -9.877 -4.087 1.00 1.30 H new ATOM 0 HB3 GLN A 57 -9.246 -8.903 -4.782 1.00 1.30 H new ATOM 0 HG2 GLN A 57 -11.031 -10.918 -6.099 1.00 1.81 H new ATOM 0 HG3 GLN A 57 -10.605 -9.299 -6.617 1.00 1.81 H new ATOM 0 HE21 GLN A 57 -10.460 -12.174 -7.776 1.00 2.43 H new ATOM 0 HE22 GLN A 57 -8.848 -12.225 -8.497 1.00 2.43 H new ATOM 930 N TRP A 58 -6.246 -10.906 -3.836 1.00 0.73 N ATOM 931 CA TRP A 58 -4.951 -10.301 -3.593 1.00 0.63 C ATOM 932 C TRP A 58 -4.440 -9.622 -4.850 1.00 0.67 C ATOM 933 O TRP A 58 -4.405 -10.222 -5.925 1.00 0.76 O ATOM 934 CB TRP A 58 -3.942 -11.339 -3.104 1.00 0.71 C ATOM 935 CG TRP A 58 -3.788 -11.348 -1.615 1.00 0.70 C ATOM 936 CD1 TRP A 58 -3.517 -12.424 -0.820 1.00 0.85 C ATOM 937 CD2 TRP A 58 -3.893 -10.219 -0.740 1.00 0.57 C ATOM 938 NE1 TRP A 58 -3.447 -12.030 0.495 1.00 0.84 N ATOM 939 CE2 TRP A 58 -3.673 -10.679 0.569 1.00 0.67 C ATOM 940 CE3 TRP A 58 -4.151 -8.864 -0.941 1.00 0.44 C ATOM 941 CZ2 TRP A 58 -3.704 -9.825 1.670 1.00 0.64 C ATOM 942 CZ3 TRP A 58 -4.177 -8.022 0.149 1.00 0.39 C ATOM 943 CH2 TRP A 58 -3.956 -8.501 1.435 1.00 0.49 C ATOM 0 H TRP A 58 -6.235 -11.924 -3.900 1.00 0.73 H new ATOM 0 HA TRP A 58 -5.071 -9.551 -2.812 1.00 0.63 H new ATOM 0 HB2 TRP A 58 -4.256 -12.328 -3.437 1.00 0.71 H new ATOM 0 HB3 TRP A 58 -2.973 -11.141 -3.563 1.00 0.71 H new ATOM 0 HD1 TRP A 58 -3.378 -13.435 -1.172 1.00 0.85 H new ATOM 0 HE1 TRP A 58 -3.258 -12.643 1.288 1.00 0.84 H new ATOM 0 HE3 TRP A 58 -4.328 -8.481 -1.935 1.00 0.44 H new ATOM 0 HZ2 TRP A 58 -3.535 -10.194 2.671 1.00 0.64 H new ATOM 0 HZ3 TRP A 58 -4.373 -6.970 0.002 1.00 0.39 H new ATOM 0 HH2 TRP A 58 -3.984 -7.813 2.267 1.00 0.49 H new ATOM 954 N GLN A 59 -4.109 -8.353 -4.718 1.00 0.70 N ATOM 955 CA GLN A 59 -3.661 -7.564 -5.853 1.00 0.79 C ATOM 956 C GLN A 59 -2.146 -7.406 -5.833 1.00 0.95 C ATOM 957 O GLN A 59 -1.469 -7.956 -4.962 1.00 1.64 O ATOM 958 CB GLN A 59 -4.342 -6.195 -5.831 1.00 1.06 C ATOM 959 CG GLN A 59 -5.325 -5.972 -6.972 1.00 1.36 C ATOM 960 CD GLN A 59 -5.982 -7.253 -7.454 1.00 1.68 C ATOM 961 OE1 GLN A 59 -5.695 -7.736 -8.547 1.00 2.39 O ATOM 962 NE2 GLN A 59 -6.878 -7.804 -6.651 1.00 2.14 N ATOM 0 H GLN A 59 -4.141 -7.843 -3.835 1.00 0.70 H new ATOM 0 HA GLN A 59 -3.935 -8.082 -6.772 1.00 0.79 H new ATOM 0 HB2 GLN A 59 -4.869 -6.078 -4.884 1.00 1.06 H new ATOM 0 HB3 GLN A 59 -3.577 -5.420 -5.868 1.00 1.06 H new ATOM 0 HG2 GLN A 59 -6.097 -5.275 -6.647 1.00 1.36 H new ATOM 0 HG3 GLN A 59 -4.803 -5.503 -7.806 1.00 1.36 H new ATOM 0 HE21 GLN A 59 -7.089 -7.373 -5.751 1.00 2.14 H new ATOM 0 HE22 GLN A 59 -7.357 -8.659 -6.932 1.00 2.14 H new ATOM 971 N HIS A 60 -1.610 -6.696 -6.811 1.00 0.80 N ATOM 972 CA HIS A 60 -0.172 -6.503 -6.907 1.00 1.11 C ATOM 973 C HIS A 60 0.151 -5.209 -7.644 1.00 0.88 C ATOM 974 O HIS A 60 0.215 -5.177 -8.872 1.00 1.12 O ATOM 975 CB HIS A 60 0.473 -7.702 -7.619 1.00 1.75 C ATOM 976 CG HIS A 60 1.976 -7.713 -7.594 1.00 1.87 C ATOM 977 ND1 HIS A 60 2.718 -8.794 -8.007 1.00 2.49 N ATOM 978 CD2 HIS A 60 2.873 -6.767 -7.227 1.00 2.11 C ATOM 979 CE1 HIS A 60 4.004 -8.513 -7.895 1.00 2.81 C ATOM 980 NE2 HIS A 60 4.129 -7.283 -7.428 1.00 2.58 N ATOM 0 H HIS A 60 -2.148 -6.244 -7.550 1.00 0.80 H new ATOM 0 HA HIS A 60 0.237 -6.430 -5.899 1.00 1.11 H new ATOM 0 HB2 HIS A 60 0.109 -8.620 -7.158 1.00 1.75 H new ATOM 0 HB3 HIS A 60 0.140 -7.713 -8.657 1.00 1.75 H new ATOM 0 HD2 HIS A 60 2.642 -5.784 -6.845 1.00 2.11 H new ATOM 0 HE1 HIS A 60 4.818 -9.178 -8.144 1.00 2.81 H new ATOM 0 HE2 HIS A 60 5.009 -6.800 -7.248 1.00 2.58 H new ATOM 989 N VAL A 61 0.423 -4.163 -6.883 1.00 0.60 N ATOM 990 CA VAL A 61 0.849 -2.893 -7.450 1.00 0.59 C ATOM 991 C VAL A 61 2.263 -2.572 -6.980 1.00 0.51 C ATOM 992 O VAL A 61 2.565 -2.700 -5.795 1.00 0.55 O ATOM 993 CB VAL A 61 -0.086 -1.726 -7.057 1.00 0.87 C ATOM 994 CG1 VAL A 61 -0.186 -0.722 -8.194 1.00 1.32 C ATOM 995 CG2 VAL A 61 -1.468 -2.229 -6.671 1.00 1.48 C ATOM 0 H VAL A 61 0.356 -4.168 -5.865 1.00 0.60 H new ATOM 0 HA VAL A 61 0.815 -2.998 -8.534 1.00 0.59 H new ATOM 0 HB VAL A 61 0.344 -1.231 -6.186 1.00 0.87 H new ATOM 0 HG11 VAL A 61 -0.848 0.094 -7.902 1.00 1.32 H new ATOM 0 HG12 VAL A 61 0.804 -0.324 -8.416 1.00 1.32 H new ATOM 0 HG13 VAL A 61 -0.586 -1.215 -9.080 1.00 1.32 H new ATOM 0 HG21 VAL A 61 -2.100 -1.384 -6.400 1.00 1.48 H new ATOM 0 HG22 VAL A 61 -1.911 -2.758 -7.515 1.00 1.48 H new ATOM 0 HG23 VAL A 61 -1.384 -2.906 -5.821 1.00 1.48 H new ATOM 1005 N GLU A 62 3.114 -2.147 -7.903 1.00 0.81 N ATOM 1006 CA GLU A 62 4.480 -1.768 -7.563 1.00 1.05 C ATOM 1007 C GLU A 62 4.674 -0.274 -7.789 1.00 0.71 C ATOM 1008 O GLU A 62 4.402 0.238 -8.876 1.00 0.80 O ATOM 1009 CB GLU A 62 5.509 -2.565 -8.379 1.00 1.61 C ATOM 1010 CG GLU A 62 4.957 -3.218 -9.640 1.00 2.42 C ATOM 1011 CD GLU A 62 4.831 -4.725 -9.515 1.00 3.17 C ATOM 1012 OE1 GLU A 62 5.563 -5.320 -8.698 1.00 3.63 O ATOM 1013 OE2 GLU A 62 3.997 -5.326 -10.228 1.00 3.60 O ATOM 0 H GLU A 62 2.884 -2.056 -8.893 1.00 0.81 H new ATOM 0 HA GLU A 62 4.641 -2.001 -6.510 1.00 1.05 H new ATOM 0 HB2 GLU A 62 6.325 -1.898 -8.659 1.00 1.61 H new ATOM 0 HB3 GLU A 62 5.935 -3.340 -7.742 1.00 1.61 H new ATOM 0 HG2 GLU A 62 3.979 -2.794 -9.865 1.00 2.42 H new ATOM 0 HG3 GLU A 62 5.608 -2.981 -10.481 1.00 2.42 H new ATOM 1020 N LEU A 63 5.000 0.436 -6.719 1.00 0.61 N ATOM 1021 CA LEU A 63 5.076 1.891 -6.759 1.00 0.71 C ATOM 1022 C LEU A 63 6.461 2.395 -6.353 1.00 0.75 C ATOM 1023 O LEU A 63 6.707 2.663 -5.179 1.00 0.94 O ATOM 1024 CB LEU A 63 4.021 2.496 -5.824 1.00 0.97 C ATOM 1025 CG LEU A 63 2.600 1.949 -5.985 1.00 0.92 C ATOM 1026 CD1 LEU A 63 2.251 1.015 -4.836 1.00 1.33 C ATOM 1027 CD2 LEU A 63 1.603 3.093 -6.060 1.00 1.18 C ATOM 0 H LEU A 63 5.217 0.028 -5.810 1.00 0.61 H new ATOM 0 HA LEU A 63 4.887 2.203 -7.786 1.00 0.71 H new ATOM 0 HB2 LEU A 63 4.339 2.333 -4.794 1.00 0.97 H new ATOM 0 HB3 LEU A 63 3.996 3.574 -5.983 1.00 0.97 H new ATOM 0 HG LEU A 63 2.551 1.381 -6.914 1.00 0.92 H new ATOM 0 HD11 LEU A 63 1.237 0.637 -4.969 1.00 1.33 H new ATOM 0 HD12 LEU A 63 2.951 0.179 -4.821 1.00 1.33 H new ATOM 0 HD13 LEU A 63 2.315 1.558 -3.893 1.00 1.33 H new ATOM 0 HD21 LEU A 63 0.596 2.691 -6.174 1.00 1.18 H new ATOM 0 HD22 LEU A 63 1.657 3.683 -5.145 1.00 1.18 H new ATOM 0 HD23 LEU A 63 1.840 3.727 -6.915 1.00 1.18 H new ATOM 1039 N SER A 64 7.325 2.618 -7.332 1.00 0.78 N ATOM 1040 CA SER A 64 8.628 3.220 -7.074 1.00 0.89 C ATOM 1041 C SER A 64 8.463 4.705 -6.777 1.00 0.82 C ATOM 1042 O SER A 64 7.963 5.460 -7.615 1.00 1.57 O ATOM 1043 CB SER A 64 9.552 3.015 -8.275 1.00 1.13 C ATOM 1044 OG SER A 64 8.978 2.118 -9.214 1.00 1.36 O ATOM 0 H SER A 64 7.150 2.392 -8.311 1.00 0.78 H new ATOM 0 HA SER A 64 9.077 2.736 -6.207 1.00 0.89 H new ATOM 0 HB2 SER A 64 9.747 3.974 -8.756 1.00 1.13 H new ATOM 0 HB3 SER A 64 10.513 2.627 -7.937 1.00 1.13 H new ATOM 0 HG SER A 64 9.587 2.005 -9.973 1.00 1.36 H new ATOM 1050 N ASN A 65 8.744 5.073 -5.529 1.00 1.03 N ATOM 1051 CA ASN A 65 8.563 6.443 -5.041 1.00 0.94 C ATOM 1052 C ASN A 65 7.089 6.830 -4.987 1.00 0.82 C ATOM 1053 O ASN A 65 6.749 7.978 -4.688 1.00 1.16 O ATOM 1054 CB ASN A 65 9.335 7.446 -5.898 1.00 1.03 C ATOM 1055 CG ASN A 65 10.476 8.084 -5.140 1.00 1.41 C ATOM 1056 OD1 ASN A 65 10.515 9.301 -4.956 1.00 2.04 O ATOM 1057 ND2 ASN A 65 11.402 7.263 -4.679 1.00 1.97 N ATOM 0 H ASN A 65 9.105 4.430 -4.824 1.00 1.03 H new ATOM 0 HA ASN A 65 8.962 6.472 -4.027 1.00 0.94 H new ATOM 0 HB2 ASN A 65 9.725 6.942 -6.782 1.00 1.03 H new ATOM 0 HB3 ASN A 65 8.654 8.222 -6.248 1.00 1.03 H new ATOM 0 HD21 ASN A 65 12.190 7.631 -4.146 1.00 1.97 H new ATOM 0 HD22 ASN A 65 11.329 6.261 -4.856 1.00 1.97 H new ATOM 1064 N GLY A 66 6.220 5.841 -5.164 1.00 0.69 N ATOM 1065 CA GLY A 66 4.804 6.068 -5.010 1.00 0.66 C ATOM 1066 C GLY A 66 4.467 6.292 -3.560 1.00 0.61 C ATOM 1067 O GLY A 66 5.083 5.687 -2.685 1.00 0.87 O ATOM 0 H GLY A 66 6.477 4.885 -5.412 1.00 0.69 H new ATOM 0 HA2 GLY A 66 4.501 6.934 -5.599 1.00 0.66 H new ATOM 0 HA3 GLY A 66 4.248 5.212 -5.392 1.00 0.66 H new ATOM 1071 N THR A 67 3.620 7.265 -3.294 1.00 0.40 N ATOM 1072 CA THR A 67 3.343 7.660 -1.927 1.00 0.41 C ATOM 1073 C THR A 67 1.849 7.842 -1.691 1.00 0.36 C ATOM 1074 O THR A 67 1.393 7.881 -0.547 1.00 0.39 O ATOM 1075 CB THR A 67 4.092 8.960 -1.587 1.00 0.57 C ATOM 1076 OG1 THR A 67 4.724 9.474 -2.770 1.00 0.63 O ATOM 1077 CG2 THR A 67 5.146 8.709 -0.521 1.00 0.70 C ATOM 0 H THR A 67 3.113 7.795 -4.003 1.00 0.40 H new ATOM 0 HA THR A 67 3.692 6.861 -1.273 1.00 0.41 H new ATOM 0 HB THR A 67 3.373 9.685 -1.205 1.00 0.57 H new ATOM 0 HG1 THR A 67 5.200 10.303 -2.553 1.00 0.63 H new ATOM 0 HG21 THR A 67 5.664 9.641 -0.295 1.00 0.70 H new ATOM 0 HG22 THR A 67 4.667 8.332 0.383 1.00 0.70 H new ATOM 0 HG23 THR A 67 5.864 7.974 -0.885 1.00 0.70 H new ATOM 1085 N ALA A 68 1.089 7.944 -2.773 1.00 0.44 N ATOM 1086 CA ALA A 68 -0.349 8.147 -2.671 1.00 0.47 C ATOM 1087 C ALA A 68 -1.104 7.276 -3.669 1.00 0.47 C ATOM 1088 O ALA A 68 -1.413 7.709 -4.780 1.00 0.55 O ATOM 1089 CB ALA A 68 -0.689 9.615 -2.881 1.00 0.59 C ATOM 0 H ALA A 68 1.443 7.890 -3.728 1.00 0.44 H new ATOM 0 HA ALA A 68 -0.661 7.852 -1.669 1.00 0.47 H new ATOM 0 HB1 ALA A 68 -1.767 9.754 -2.802 1.00 0.59 H new ATOM 0 HB2 ALA A 68 -0.189 10.216 -2.122 1.00 0.59 H new ATOM 0 HB3 ALA A 68 -0.354 9.928 -3.870 1.00 0.59 H new ATOM 1095 N HIS A 69 -1.457 6.070 -3.250 1.00 0.43 N ATOM 1096 CA HIS A 69 -2.267 5.193 -4.078 1.00 0.45 C ATOM 1097 C HIS A 69 -3.746 5.374 -3.767 1.00 0.40 C ATOM 1098 O HIS A 69 -4.363 4.560 -3.080 1.00 0.80 O ATOM 1099 CB HIS A 69 -1.863 3.729 -3.918 1.00 0.52 C ATOM 1100 CG HIS A 69 -2.097 2.925 -5.162 1.00 0.62 C ATOM 1101 ND1 HIS A 69 -1.751 3.372 -6.421 1.00 1.03 N ATOM 1102 CD2 HIS A 69 -2.664 1.709 -5.340 1.00 0.65 C ATOM 1103 CE1 HIS A 69 -2.098 2.466 -7.318 1.00 1.03 C ATOM 1104 NE2 HIS A 69 -2.654 1.446 -6.689 1.00 0.75 N ATOM 0 H HIS A 69 -1.196 5.679 -2.345 1.00 0.43 H new ATOM 0 HA HIS A 69 -2.090 5.472 -5.117 1.00 0.45 H new ATOM 0 HB2 HIS A 69 -0.808 3.675 -3.648 1.00 0.52 H new ATOM 0 HB3 HIS A 69 -2.426 3.289 -3.095 1.00 0.52 H new ATOM 0 HD2 HIS A 69 -3.052 1.065 -4.565 1.00 0.65 H new ATOM 0 HE1 HIS A 69 -1.952 2.546 -8.385 1.00 1.03 H new ATOM 0 HE2 HIS A 69 -3.016 0.602 -7.132 1.00 0.75 H new ATOM 1113 N THR A 70 -4.314 6.422 -4.315 1.00 0.41 N ATOM 1114 CA THR A 70 -5.734 6.680 -4.177 1.00 0.44 C ATOM 1115 C THR A 70 -6.528 5.767 -5.107 1.00 0.47 C ATOM 1116 O THR A 70 -6.567 5.980 -6.321 1.00 0.72 O ATOM 1117 CB THR A 70 -6.053 8.147 -4.497 1.00 0.60 C ATOM 1118 OG1 THR A 70 -4.883 8.950 -4.283 1.00 0.94 O ATOM 1119 CG2 THR A 70 -7.192 8.657 -3.632 1.00 0.84 C ATOM 0 H THR A 70 -3.812 7.118 -4.866 1.00 0.41 H new ATOM 0 HA THR A 70 -6.018 6.477 -3.144 1.00 0.44 H new ATOM 0 HB THR A 70 -6.360 8.215 -5.541 1.00 0.60 H new ATOM 0 HG1 THR A 70 -5.087 9.886 -4.489 1.00 0.94 H new ATOM 0 HG21 THR A 70 -7.398 9.699 -3.879 1.00 0.84 H new ATOM 0 HG22 THR A 70 -8.084 8.058 -3.814 1.00 0.84 H new ATOM 0 HG23 THR A 70 -6.913 8.581 -2.581 1.00 0.84 H new ATOM 1127 N ILE A 71 -7.074 4.698 -4.549 1.00 0.36 N ATOM 1128 CA ILE A 71 -7.792 3.710 -5.337 1.00 0.44 C ATOM 1129 C ILE A 71 -9.294 3.837 -5.142 1.00 0.34 C ATOM 1130 O ILE A 71 -9.777 3.918 -4.016 1.00 0.37 O ATOM 1131 CB ILE A 71 -7.372 2.265 -4.990 1.00 0.55 C ATOM 1132 CG1 ILE A 71 -6.925 2.158 -3.528 1.00 0.55 C ATOM 1133 CG2 ILE A 71 -6.264 1.797 -5.920 1.00 1.08 C ATOM 1134 CD1 ILE A 71 -7.290 0.839 -2.878 1.00 0.70 C ATOM 0 H ILE A 71 -7.033 4.493 -3.551 1.00 0.36 H new ATOM 0 HA ILE A 71 -7.534 3.910 -6.377 1.00 0.44 H new ATOM 0 HB ILE A 71 -8.239 1.619 -5.126 1.00 0.55 H new ATOM 0 HG12 ILE A 71 -5.845 2.292 -3.476 1.00 0.55 H new ATOM 0 HG13 ILE A 71 -7.375 2.971 -2.959 1.00 0.55 H new ATOM 0 HG21 ILE A 71 -5.979 0.777 -5.662 1.00 1.08 H new ATOM 0 HG22 ILE A 71 -6.618 1.826 -6.951 1.00 1.08 H new ATOM 0 HG23 ILE A 71 -5.400 2.452 -5.815 1.00 1.08 H new ATOM 0 HD11 ILE A 71 -6.943 0.834 -1.845 1.00 0.70 H new ATOM 0 HD12 ILE A 71 -8.372 0.711 -2.898 1.00 0.70 H new ATOM 0 HD13 ILE A 71 -6.818 0.022 -3.423 1.00 0.70 H new ATOM 1146 N THR A 72 -10.029 3.754 -6.236 1.00 0.37 N ATOM 1147 CA THR A 72 -11.481 3.746 -6.188 1.00 0.33 C ATOM 1148 C THR A 72 -11.983 2.324 -6.426 1.00 0.31 C ATOM 1149 O THR A 72 -13.093 2.100 -6.904 1.00 0.33 O ATOM 1150 CB THR A 72 -12.065 4.703 -7.247 1.00 0.43 C ATOM 1151 OG1 THR A 72 -11.113 5.733 -7.546 1.00 1.33 O ATOM 1152 CG2 THR A 72 -13.358 5.333 -6.761 1.00 1.22 C ATOM 0 H THR A 72 -9.640 3.691 -7.177 1.00 0.37 H new ATOM 0 HA THR A 72 -11.808 4.088 -5.206 1.00 0.33 H new ATOM 0 HB THR A 72 -12.280 4.126 -8.146 1.00 0.43 H new ATOM 0 HG1 THR A 72 -11.487 6.338 -8.220 1.00 1.33 H new ATOM 0 HG21 THR A 72 -13.747 6.003 -7.528 1.00 1.22 H new ATOM 0 HG22 THR A 72 -14.090 4.551 -6.557 1.00 1.22 H new ATOM 0 HG23 THR A 72 -13.167 5.898 -5.849 1.00 1.22 H new ATOM 1160 N ASP A 73 -11.107 1.372 -6.139 1.00 0.34 N ATOM 1161 CA ASP A 73 -11.382 -0.046 -6.349 1.00 0.40 C ATOM 1162 C ASP A 73 -11.863 -0.716 -5.070 1.00 0.39 C ATOM 1163 O ASP A 73 -11.926 -1.943 -4.986 1.00 0.51 O ATOM 1164 CB ASP A 73 -10.131 -0.751 -6.868 1.00 0.52 C ATOM 1165 CG ASP A 73 -10.448 -1.825 -7.890 1.00 0.71 C ATOM 1166 OD1 ASP A 73 -11.643 -2.106 -8.126 1.00 1.31 O ATOM 1167 OD2 ASP A 73 -9.497 -2.390 -8.473 1.00 1.21 O ATOM 0 H ASP A 73 -10.182 1.560 -5.753 1.00 0.34 H new ATOM 0 HA ASP A 73 -12.177 -0.126 -7.090 1.00 0.40 H new ATOM 0 HB2 ASP A 73 -9.463 -0.015 -7.315 1.00 0.52 H new ATOM 0 HB3 ASP A 73 -9.597 -1.199 -6.030 1.00 0.52 H new ATOM 1172 N ALA A 74 -12.073 0.080 -4.037 1.00 0.31 N ATOM 1173 CA ALA A 74 -12.413 -0.459 -2.734 1.00 0.33 C ATOM 1174 C ALA A 74 -13.912 -0.653 -2.597 1.00 0.35 C ATOM 1175 O ALA A 74 -14.691 -0.137 -3.395 1.00 0.47 O ATOM 1176 CB ALA A 74 -11.878 0.446 -1.638 1.00 0.36 C ATOM 0 H ALA A 74 -12.014 1.098 -4.075 1.00 0.31 H new ATOM 0 HA ALA A 74 -11.945 -1.438 -2.633 1.00 0.33 H new ATOM 0 HB1 ALA A 74 -12.139 0.032 -0.664 1.00 0.36 H new ATOM 0 HB2 ALA A 74 -10.794 0.518 -1.723 1.00 0.36 H new ATOM 0 HB3 ALA A 74 -12.317 1.439 -1.739 1.00 0.36 H new ATOM 1182 N TYR A 75 -14.313 -1.433 -1.610 1.00 0.48 N ATOM 1183 CA TYR A 75 -15.721 -1.709 -1.385 1.00 0.52 C ATOM 1184 C TYR A 75 -16.313 -0.707 -0.408 1.00 0.46 C ATOM 1185 O TYR A 75 -15.740 -0.450 0.646 1.00 0.55 O ATOM 1186 CB TYR A 75 -15.906 -3.131 -0.857 1.00 0.71 C ATOM 1187 CG TYR A 75 -16.611 -4.054 -1.824 1.00 1.01 C ATOM 1188 CD1 TYR A 75 -17.555 -3.570 -2.721 1.00 1.38 C ATOM 1189 CD2 TYR A 75 -16.333 -5.414 -1.837 1.00 1.67 C ATOM 1190 CE1 TYR A 75 -18.201 -4.415 -3.603 1.00 1.85 C ATOM 1191 CE2 TYR A 75 -16.975 -6.267 -2.714 1.00 2.26 C ATOM 1192 CZ TYR A 75 -17.907 -5.763 -3.596 1.00 2.21 C ATOM 1193 OH TYR A 75 -18.547 -6.610 -4.474 1.00 2.86 O ATOM 0 H TYR A 75 -13.682 -1.888 -0.950 1.00 0.48 H new ATOM 0 HA TYR A 75 -16.245 -1.616 -2.336 1.00 0.52 H new ATOM 0 HB2 TYR A 75 -14.929 -3.549 -0.617 1.00 0.71 H new ATOM 0 HB3 TYR A 75 -16.473 -3.092 0.073 1.00 0.71 H new ATOM 0 HD1 TYR A 75 -17.788 -2.515 -2.729 1.00 1.38 H new ATOM 0 HD2 TYR A 75 -15.602 -5.812 -1.149 1.00 1.67 H new ATOM 0 HE1 TYR A 75 -18.932 -4.022 -4.294 1.00 1.85 H new ATOM 0 HE2 TYR A 75 -16.748 -7.323 -2.709 1.00 2.26 H new ATOM 0 HH TYR A 75 -18.224 -7.525 -4.339 1.00 2.86 H new ATOM 1203 N ALA A 76 -17.460 -0.148 -0.763 1.00 0.49 N ATOM 1204 CA ALA A 76 -18.135 0.821 0.091 1.00 0.57 C ATOM 1205 C ALA A 76 -18.576 0.170 1.395 1.00 0.50 C ATOM 1206 O ALA A 76 -18.129 0.541 2.480 1.00 0.63 O ATOM 1207 CB ALA A 76 -19.339 1.407 -0.632 1.00 0.74 C ATOM 0 H ALA A 76 -17.945 -0.348 -1.638 1.00 0.49 H new ATOM 0 HA ALA A 76 -17.435 1.623 0.323 1.00 0.57 H new ATOM 0 HB1 ALA A 76 -19.836 2.130 0.015 1.00 0.74 H new ATOM 0 HB2 ALA A 76 -19.009 1.904 -1.544 1.00 0.74 H new ATOM 0 HB3 ALA A 76 -20.036 0.608 -0.885 1.00 0.74 H new ATOM 1213 N GLY A 77 -19.482 -0.781 1.268 1.00 0.48 N ATOM 1214 CA GLY A 77 -20.007 -1.483 2.424 1.00 0.55 C ATOM 1215 C GLY A 77 -19.242 -2.754 2.747 1.00 0.48 C ATOM 1216 O GLY A 77 -19.841 -3.757 3.146 1.00 0.58 O ATOM 0 H GLY A 77 -19.870 -1.085 0.375 1.00 0.48 H new ATOM 0 HA2 GLY A 77 -19.979 -0.819 3.288 1.00 0.55 H new ATOM 0 HA3 GLY A 77 -21.053 -1.731 2.247 1.00 0.55 H new ATOM 1220 N LYS A 78 -17.929 -2.727 2.575 1.00 0.44 N ATOM 1221 CA LYS A 78 -17.098 -3.890 2.869 1.00 0.49 C ATOM 1222 C LYS A 78 -15.667 -3.463 3.147 1.00 0.43 C ATOM 1223 O LYS A 78 -15.143 -2.565 2.494 1.00 0.61 O ATOM 1224 CB LYS A 78 -17.127 -4.882 1.708 1.00 0.70 C ATOM 1225 CG LYS A 78 -17.774 -6.209 2.063 1.00 0.98 C ATOM 1226 CD LYS A 78 -19.057 -6.426 1.282 1.00 1.62 C ATOM 1227 CE LYS A 78 -20.091 -7.166 2.112 1.00 1.93 C ATOM 1228 NZ LYS A 78 -21.234 -6.291 2.483 1.00 2.32 N ATOM 0 H LYS A 78 -17.414 -1.915 2.234 1.00 0.44 H new ATOM 0 HA LYS A 78 -17.501 -4.378 3.756 1.00 0.49 H new ATOM 0 HB2 LYS A 78 -17.666 -4.436 0.872 1.00 0.70 H new ATOM 0 HB3 LYS A 78 -16.107 -5.063 1.369 1.00 0.70 H new ATOM 0 HG2 LYS A 78 -17.078 -7.022 1.856 1.00 0.98 H new ATOM 0 HG3 LYS A 78 -17.988 -6.237 3.132 1.00 0.98 H new ATOM 0 HD2 LYS A 78 -19.461 -5.464 0.968 1.00 1.62 H new ATOM 0 HD3 LYS A 78 -18.842 -6.992 0.376 1.00 1.62 H new ATOM 0 HE2 LYS A 78 -20.459 -8.025 1.551 1.00 1.93 H new ATOM 0 HE3 LYS A 78 -19.621 -7.553 3.016 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 -21.742 -6.707 3.290 1.00 2.32 H new ATOM 0 HZ2 LYS A 78 -20.879 -5.349 2.745 1.00 2.32 H new ATOM 0 HZ3 LYS A 78 -21.881 -6.204 1.674 1.00 2.32 H new ATOM 1242 N GLU A 79 -15.053 -4.089 4.135 1.00 0.40 N ATOM 1243 CA GLU A 79 -13.701 -3.738 4.535 1.00 0.43 C ATOM 1244 C GLU A 79 -12.675 -4.241 3.525 1.00 0.37 C ATOM 1245 O GLU A 79 -12.899 -5.235 2.827 1.00 0.39 O ATOM 1246 CB GLU A 79 -13.395 -4.310 5.916 1.00 0.59 C ATOM 1247 CG GLU A 79 -14.513 -4.102 6.922 1.00 1.13 C ATOM 1248 CD GLU A 79 -13.996 -3.969 8.335 1.00 1.55 C ATOM 1249 OE1 GLU A 79 -13.757 -5.004 8.986 1.00 2.20 O ATOM 1250 OE2 GLU A 79 -13.815 -2.826 8.802 1.00 2.05 O ATOM 0 H GLU A 79 -15.470 -4.846 4.677 1.00 0.40 H new ATOM 0 HA GLU A 79 -13.635 -2.651 4.572 1.00 0.43 H new ATOM 0 HB2 GLU A 79 -13.196 -5.378 5.822 1.00 0.59 H new ATOM 0 HB3 GLU A 79 -12.484 -3.849 6.297 1.00 0.59 H new ATOM 0 HG2 GLU A 79 -15.075 -3.206 6.657 1.00 1.13 H new ATOM 0 HG3 GLU A 79 -15.207 -4.941 6.869 1.00 1.13 H new ATOM 1257 N TYR A 80 -11.544 -3.558 3.471 1.00 0.39 N ATOM 1258 CA TYR A 80 -10.455 -3.935 2.587 1.00 0.38 C ATOM 1259 C TYR A 80 -9.151 -3.991 3.375 1.00 0.41 C ATOM 1260 O TYR A 80 -8.861 -3.092 4.168 1.00 0.55 O ATOM 1261 CB TYR A 80 -10.327 -2.927 1.440 1.00 0.43 C ATOM 1262 CG TYR A 80 -10.785 -3.453 0.098 1.00 0.40 C ATOM 1263 CD1 TYR A 80 -12.132 -3.647 -0.174 1.00 0.50 C ATOM 1264 CD2 TYR A 80 -9.869 -3.746 -0.903 1.00 0.53 C ATOM 1265 CE1 TYR A 80 -12.552 -4.122 -1.402 1.00 0.63 C ATOM 1266 CE2 TYR A 80 -10.281 -4.220 -2.135 1.00 0.64 C ATOM 1267 CZ TYR A 80 -11.623 -4.405 -2.381 1.00 0.66 C ATOM 1268 OH TYR A 80 -12.041 -4.882 -3.604 1.00 0.85 O ATOM 0 H TYR A 80 -11.356 -2.730 4.036 1.00 0.39 H new ATOM 0 HA TYR A 80 -10.666 -4.918 2.166 1.00 0.38 H new ATOM 0 HB2 TYR A 80 -10.907 -2.038 1.686 1.00 0.43 H new ATOM 0 HB3 TYR A 80 -9.286 -2.616 1.359 1.00 0.43 H new ATOM 0 HD1 TYR A 80 -12.865 -3.423 0.587 1.00 0.50 H new ATOM 0 HD2 TYR A 80 -8.815 -3.601 -0.716 1.00 0.53 H new ATOM 0 HE1 TYR A 80 -13.604 -4.271 -1.594 1.00 0.63 H new ATOM 0 HE2 TYR A 80 -9.553 -4.444 -2.901 1.00 0.64 H new ATOM 0 HH TYR A 80 -12.124 -4.137 -4.235 1.00 0.85 H new ATOM 1278 N ILE A 81 -8.370 -5.039 3.160 1.00 0.31 N ATOM 1279 CA ILE A 81 -7.083 -5.167 3.826 1.00 0.33 C ATOM 1280 C ILE A 81 -5.948 -4.915 2.836 1.00 0.29 C ATOM 1281 O ILE A 81 -5.827 -5.596 1.813 1.00 0.29 O ATOM 1282 CB ILE A 81 -6.913 -6.546 4.511 1.00 0.40 C ATOM 1283 CG1 ILE A 81 -5.490 -6.711 5.049 1.00 0.48 C ATOM 1284 CG2 ILE A 81 -7.255 -7.680 3.559 1.00 0.39 C ATOM 1285 CD1 ILE A 81 -5.250 -5.984 6.355 1.00 1.11 C ATOM 0 H ILE A 81 -8.603 -5.809 2.533 1.00 0.31 H new ATOM 0 HA ILE A 81 -7.046 -4.413 4.612 1.00 0.33 H new ATOM 0 HB ILE A 81 -7.609 -6.588 5.349 1.00 0.40 H new ATOM 0 HG12 ILE A 81 -5.284 -7.772 5.190 1.00 0.48 H new ATOM 0 HG13 ILE A 81 -4.784 -6.345 4.304 1.00 0.48 H new ATOM 0 HG21 ILE A 81 -7.126 -8.635 4.069 1.00 0.39 H new ATOM 0 HG22 ILE A 81 -8.290 -7.581 3.232 1.00 0.39 H new ATOM 0 HG23 ILE A 81 -6.595 -7.639 2.693 1.00 0.39 H new ATOM 0 HD11 ILE A 81 -4.221 -6.145 6.677 1.00 1.11 H new ATOM 0 HD12 ILE A 81 -5.424 -4.917 6.215 1.00 1.11 H new ATOM 0 HD13 ILE A 81 -5.932 -6.366 7.115 1.00 1.11 H new ATOM 1297 N ILE A 82 -5.189 -3.865 3.095 1.00 0.31 N ATOM 1298 CA ILE A 82 -4.117 -3.453 2.210 1.00 0.30 C ATOM 1299 C ILE A 82 -2.761 -3.808 2.806 1.00 0.32 C ATOM 1300 O ILE A 82 -2.322 -3.201 3.781 1.00 0.45 O ATOM 1301 CB ILE A 82 -4.179 -1.937 1.926 1.00 0.37 C ATOM 1302 CG1 ILE A 82 -5.522 -1.569 1.291 1.00 0.57 C ATOM 1303 CG2 ILE A 82 -3.030 -1.511 1.024 1.00 0.58 C ATOM 1304 CD1 ILE A 82 -6.017 -0.193 1.672 1.00 0.64 C ATOM 0 H ILE A 82 -5.299 -3.277 3.921 1.00 0.31 H new ATOM 0 HA ILE A 82 -4.244 -3.988 1.269 1.00 0.30 H new ATOM 0 HB ILE A 82 -4.084 -1.406 2.873 1.00 0.37 H new ATOM 0 HG12 ILE A 82 -5.428 -1.624 0.206 1.00 0.57 H new ATOM 0 HG13 ILE A 82 -6.267 -2.308 1.585 1.00 0.57 H new ATOM 0 HG21 ILE A 82 -3.093 -0.439 0.837 1.00 0.58 H new ATOM 0 HG22 ILE A 82 -2.082 -1.739 1.510 1.00 0.58 H new ATOM 0 HG23 ILE A 82 -3.091 -2.049 0.078 1.00 0.58 H new ATOM 0 HD11 ILE A 82 -6.973 -0.002 1.185 1.00 0.64 H new ATOM 0 HD12 ILE A 82 -6.144 -0.138 2.753 1.00 0.64 H new ATOM 0 HD13 ILE A 82 -5.292 0.556 1.353 1.00 0.64 H new ATOM 1316 N GLN A 83 -2.097 -4.775 2.200 1.00 0.31 N ATOM 1317 CA GLN A 83 -0.767 -5.176 2.630 1.00 0.34 C ATOM 1318 C GLN A 83 0.281 -4.385 1.862 1.00 0.29 C ATOM 1319 O GLN A 83 0.219 -4.291 0.634 1.00 0.31 O ATOM 1320 CB GLN A 83 -0.565 -6.675 2.406 1.00 0.44 C ATOM 1321 CG GLN A 83 0.713 -7.227 3.012 1.00 0.60 C ATOM 1322 CD GLN A 83 0.954 -6.744 4.427 1.00 0.71 C ATOM 1323 OE1 GLN A 83 1.758 -5.847 4.654 1.00 1.59 O ATOM 1324 NE2 GLN A 83 0.268 -7.343 5.384 1.00 0.64 N ATOM 0 H GLN A 83 -2.458 -5.301 1.404 1.00 0.31 H new ATOM 0 HA GLN A 83 -0.662 -4.968 3.695 1.00 0.34 H new ATOM 0 HB2 GLN A 83 -1.415 -7.212 2.827 1.00 0.44 H new ATOM 0 HB3 GLN A 83 -0.561 -6.874 1.334 1.00 0.44 H new ATOM 0 HG2 GLN A 83 0.669 -8.316 3.008 1.00 0.60 H new ATOM 0 HG3 GLN A 83 1.559 -6.940 2.387 1.00 0.60 H new ATOM 0 HE21 GLN A 83 -0.391 -8.085 5.151 1.00 0.64 H new ATOM 0 HE22 GLN A 83 0.398 -7.063 6.356 1.00 0.64 H new ATOM 1333 N VAL A 84 1.195 -3.767 2.593 1.00 0.28 N ATOM 1334 CA VAL A 84 2.221 -2.930 1.994 1.00 0.28 C ATOM 1335 C VAL A 84 3.614 -3.494 2.263 1.00 0.28 C ATOM 1336 O VAL A 84 4.031 -3.627 3.415 1.00 0.32 O ATOM 1337 CB VAL A 84 2.150 -1.480 2.524 1.00 0.35 C ATOM 1338 CG1 VAL A 84 2.918 -0.537 1.611 1.00 0.36 C ATOM 1339 CG2 VAL A 84 0.704 -1.025 2.667 1.00 0.51 C ATOM 0 H VAL A 84 1.247 -3.831 3.610 1.00 0.28 H new ATOM 0 HA VAL A 84 2.036 -2.922 0.920 1.00 0.28 H new ATOM 0 HB VAL A 84 2.613 -1.458 3.510 1.00 0.35 H new ATOM 0 HG11 VAL A 84 2.856 0.479 2.002 1.00 0.36 H new ATOM 0 HG12 VAL A 84 3.963 -0.845 1.566 1.00 0.36 H new ATOM 0 HG13 VAL A 84 2.487 -0.568 0.610 1.00 0.36 H new ATOM 0 HG21 VAL A 84 0.680 -0.002 3.042 1.00 0.51 H new ATOM 0 HG22 VAL A 84 0.211 -1.068 1.696 1.00 0.51 H new ATOM 0 HG23 VAL A 84 0.184 -1.680 3.366 1.00 0.51 H new ATOM 1349 N ALA A 85 4.335 -3.795 1.191 1.00 0.31 N ATOM 1350 CA ALA A 85 5.698 -4.301 1.293 1.00 0.36 C ATOM 1351 C ALA A 85 6.667 -3.353 0.599 1.00 0.30 C ATOM 1352 O ALA A 85 6.248 -2.359 -0.001 1.00 0.37 O ATOM 1353 CB ALA A 85 5.795 -5.697 0.696 1.00 0.49 C ATOM 0 H ALA A 85 3.996 -3.697 0.234 1.00 0.31 H new ATOM 0 HA ALA A 85 5.968 -4.361 2.347 1.00 0.36 H new ATOM 0 HB1 ALA A 85 6.820 -6.059 0.781 1.00 0.49 H new ATOM 0 HB2 ALA A 85 5.127 -6.370 1.234 1.00 0.49 H new ATOM 0 HB3 ALA A 85 5.508 -5.664 -0.355 1.00 0.49 H new ATOM 1359 N ALA A 86 7.960 -3.640 0.700 1.00 0.35 N ATOM 1360 CA ALA A 86 8.975 -2.769 0.126 1.00 0.45 C ATOM 1361 C ALA A 86 10.137 -3.556 -0.477 1.00 0.40 C ATOM 1362 O ALA A 86 10.436 -4.672 -0.045 1.00 0.55 O ATOM 1363 CB ALA A 86 9.491 -1.813 1.189 1.00 0.70 C ATOM 0 H ALA A 86 8.328 -4.466 1.172 1.00 0.35 H new ATOM 0 HA ALA A 86 8.508 -2.208 -0.684 1.00 0.45 H new ATOM 0 HB1 ALA A 86 10.251 -1.163 0.756 1.00 0.70 H new ATOM 0 HB2 ALA A 86 8.666 -1.207 1.565 1.00 0.70 H new ATOM 0 HB3 ALA A 86 9.927 -2.383 2.010 1.00 0.70 H new ATOM 1369 N LYS A 87 10.790 -2.950 -1.463 1.00 0.46 N ATOM 1370 CA LYS A 87 11.954 -3.534 -2.128 1.00 0.49 C ATOM 1371 C LYS A 87 12.561 -2.479 -3.050 1.00 0.61 C ATOM 1372 O LYS A 87 11.858 -1.577 -3.491 1.00 0.80 O ATOM 1373 CB LYS A 87 11.543 -4.786 -2.918 1.00 0.62 C ATOM 1374 CG LYS A 87 12.527 -5.218 -3.995 1.00 0.69 C ATOM 1375 CD LYS A 87 11.855 -5.295 -5.355 1.00 0.91 C ATOM 1376 CE LYS A 87 12.704 -6.045 -6.361 1.00 1.08 C ATOM 1377 NZ LYS A 87 13.326 -5.128 -7.345 1.00 1.33 N ATOM 0 H LYS A 87 10.527 -2.034 -1.827 1.00 0.46 H new ATOM 0 HA LYS A 87 12.695 -3.841 -1.390 1.00 0.49 H new ATOM 0 HB2 LYS A 87 11.408 -5.611 -2.218 1.00 0.62 H new ATOM 0 HB3 LYS A 87 10.575 -4.602 -3.384 1.00 0.62 H new ATOM 0 HG2 LYS A 87 13.357 -4.513 -4.036 1.00 0.69 H new ATOM 0 HG3 LYS A 87 12.947 -6.191 -3.738 1.00 0.69 H new ATOM 0 HD2 LYS A 87 10.888 -5.789 -5.255 1.00 0.91 H new ATOM 0 HD3 LYS A 87 11.662 -4.287 -5.722 1.00 0.91 H new ATOM 0 HE2 LYS A 87 13.483 -6.600 -5.838 1.00 1.08 H new ATOM 0 HE3 LYS A 87 12.088 -6.776 -6.884 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 14.075 -5.630 -7.862 1.00 1.33 H new ATOM 0 HZ2 LYS A 87 12.604 -4.797 -8.016 1.00 1.33 H new ATOM 0 HZ3 LYS A 87 13.736 -4.312 -6.848 1.00 1.33 H new ATOM 1391 N ASP A 88 13.865 -2.535 -3.282 1.00 0.67 N ATOM 1392 CA ASP A 88 14.521 -1.541 -4.132 1.00 0.81 C ATOM 1393 C ASP A 88 14.199 -1.795 -5.606 1.00 0.90 C ATOM 1394 O ASP A 88 13.688 -2.852 -5.966 1.00 1.00 O ATOM 1395 CB ASP A 88 16.033 -1.544 -3.909 1.00 0.96 C ATOM 1396 CG ASP A 88 16.748 -0.564 -4.818 1.00 1.22 C ATOM 1397 OD1 ASP A 88 16.487 0.654 -4.715 1.00 1.53 O ATOM 1398 OD2 ASP A 88 17.546 -1.009 -5.664 1.00 1.42 O ATOM 0 H ASP A 88 14.487 -3.248 -2.900 1.00 0.67 H new ATOM 0 HA ASP A 88 14.138 -0.558 -3.858 1.00 0.81 H new ATOM 0 HB2 ASP A 88 16.246 -1.294 -2.870 1.00 0.96 H new ATOM 0 HB3 ASP A 88 16.422 -2.547 -4.082 1.00 0.96 H new ATOM 1403 N ASN A 89 14.437 -0.798 -6.446 1.00 1.00 N ATOM 1404 CA ASN A 89 14.106 -0.894 -7.862 1.00 1.17 C ATOM 1405 C ASN A 89 15.091 -1.782 -8.620 1.00 1.27 C ATOM 1406 O ASN A 89 14.683 -2.583 -9.464 1.00 1.46 O ATOM 1407 CB ASN A 89 14.080 0.500 -8.494 1.00 1.30 C ATOM 1408 CG ASN A 89 12.871 0.714 -9.385 1.00 1.53 C ATOM 1409 OD1 ASN A 89 12.149 -0.224 -9.718 1.00 1.91 O ATOM 1410 ND2 ASN A 89 12.641 1.955 -9.779 1.00 1.75 N ATOM 0 H ASN A 89 14.859 0.089 -6.171 1.00 1.00 H new ATOM 0 HA ASN A 89 13.119 -1.350 -7.934 1.00 1.17 H new ATOM 0 HB2 ASN A 89 14.083 1.253 -7.705 1.00 1.30 H new ATOM 0 HB3 ASN A 89 14.988 0.647 -9.079 1.00 1.30 H new ATOM 0 HD21 ASN A 89 11.842 2.160 -10.380 1.00 1.75 H new ATOM 0 HD22 ASN A 89 13.262 2.708 -9.482 1.00 1.75 H new ATOM 1417 N GLU A 90 16.380 -1.638 -8.330 1.00 1.29 N ATOM 1418 CA GLU A 90 17.399 -2.420 -9.020 1.00 1.46 C ATOM 1419 C GLU A 90 17.832 -3.614 -8.180 1.00 1.44 C ATOM 1420 O GLU A 90 18.019 -4.716 -8.701 1.00 1.57 O ATOM 1421 CB GLU A 90 18.611 -1.553 -9.387 1.00 1.60 C ATOM 1422 CG GLU A 90 19.075 -0.620 -8.281 1.00 1.82 C ATOM 1423 CD GLU A 90 20.574 -0.671 -8.069 1.00 1.96 C ATOM 1424 OE1 GLU A 90 21.184 -1.733 -8.318 1.00 2.26 O ATOM 1425 OE2 GLU A 90 21.155 0.351 -7.656 1.00 2.17 O ATOM 0 H GLU A 90 16.742 -0.993 -7.628 1.00 1.29 H new ATOM 0 HA GLU A 90 16.958 -2.793 -9.944 1.00 1.46 H new ATOM 0 HB2 GLU A 90 19.438 -2.206 -9.665 1.00 1.60 H new ATOM 0 HB3 GLU A 90 18.364 -0.959 -10.267 1.00 1.60 H new ATOM 0 HG2 GLU A 90 18.780 0.401 -8.524 1.00 1.82 H new ATOM 0 HG3 GLU A 90 18.571 -0.885 -7.352 1.00 1.82 H new ATOM 1432 N ILE A 91 17.915 -3.419 -6.873 1.00 1.38 N ATOM 1433 CA ILE A 91 18.238 -4.507 -5.964 1.00 1.45 C ATOM 1434 C ILE A 91 16.958 -5.203 -5.517 1.00 1.48 C ATOM 1435 O ILE A 91 16.013 -4.552 -5.070 1.00 1.79 O ATOM 1436 CB ILE A 91 19.026 -4.012 -4.730 1.00 1.63 C ATOM 1437 CG1 ILE A 91 20.310 -3.307 -5.171 1.00 2.02 C ATOM 1438 CG2 ILE A 91 19.352 -5.175 -3.801 1.00 1.69 C ATOM 1439 CD1 ILE A 91 20.623 -2.062 -4.373 1.00 2.51 C ATOM 0 H ILE A 91 17.763 -2.518 -6.419 1.00 1.38 H new ATOM 0 HA ILE A 91 18.874 -5.211 -6.501 1.00 1.45 H new ATOM 0 HB ILE A 91 18.405 -3.301 -4.185 1.00 1.63 H new ATOM 0 HG12 ILE A 91 21.144 -4.003 -5.084 1.00 2.02 H new ATOM 0 HG13 ILE A 91 20.225 -3.041 -6.225 1.00 2.02 H new ATOM 0 HG21 ILE A 91 19.907 -4.807 -2.938 1.00 1.69 H new ATOM 0 HG22 ILE A 91 18.427 -5.643 -3.465 1.00 1.69 H new ATOM 0 HG23 ILE A 91 19.956 -5.909 -4.335 1.00 1.69 H new ATOM 0 HD11 ILE A 91 21.547 -1.616 -4.742 1.00 2.51 H new ATOM 0 HD12 ILE A 91 19.807 -1.347 -4.479 1.00 2.51 H new ATOM 0 HD13 ILE A 91 20.741 -2.324 -3.322 1.00 2.51 H new ATOM 1451 N GLY A 92 16.898 -6.512 -5.704 1.00 1.53 N ATOM 1452 CA GLY A 92 15.695 -7.251 -5.371 1.00 1.75 C ATOM 1453 C GLY A 92 15.612 -7.594 -3.897 1.00 1.30 C ATOM 1454 O GLY A 92 15.412 -8.751 -3.526 1.00 1.27 O ATOM 0 H GLY A 92 17.659 -7.077 -6.080 1.00 1.53 H new ATOM 0 HA2 GLY A 92 14.822 -6.663 -5.653 1.00 1.75 H new ATOM 0 HA3 GLY A 92 15.663 -8.170 -5.957 1.00 1.75 H new ATOM 1458 N THR A 93 15.740 -6.581 -3.058 1.00 1.16 N ATOM 1459 CA THR A 93 15.663 -6.757 -1.619 1.00 0.92 C ATOM 1460 C THR A 93 14.209 -6.837 -1.163 1.00 0.81 C ATOM 1461 O THR A 93 13.689 -5.911 -0.538 1.00 0.82 O ATOM 1462 CB THR A 93 16.372 -5.600 -0.897 1.00 1.19 C ATOM 1463 OG1 THR A 93 16.535 -4.490 -1.799 1.00 1.75 O ATOM 1464 CG2 THR A 93 17.731 -6.045 -0.381 1.00 1.62 C ATOM 0 H THR A 93 15.899 -5.618 -3.353 1.00 1.16 H new ATOM 0 HA THR A 93 16.162 -7.692 -1.366 1.00 0.92 H new ATOM 0 HB THR A 93 15.760 -5.293 -0.049 1.00 1.19 H new ATOM 0 HG1 THR A 93 17.197 -3.866 -1.434 1.00 1.75 H new ATOM 0 HG21 THR A 93 18.218 -5.212 0.127 1.00 1.62 H new ATOM 0 HG22 THR A 93 17.602 -6.871 0.318 1.00 1.62 H new ATOM 0 HG23 THR A 93 18.349 -6.371 -1.218 1.00 1.62 H new ATOM 1472 N TRP A 94 13.536 -7.902 -1.577 1.00 0.78 N ATOM 1473 CA TRP A 94 12.122 -8.085 -1.292 1.00 0.75 C ATOM 1474 C TRP A 94 11.886 -8.298 0.195 1.00 0.74 C ATOM 1475 O TRP A 94 12.387 -9.258 0.778 1.00 0.89 O ATOM 1476 CB TRP A 94 11.580 -9.288 -2.068 1.00 0.82 C ATOM 1477 CG TRP A 94 10.678 -8.920 -3.204 1.00 0.84 C ATOM 1478 CD1 TRP A 94 11.054 -8.621 -4.480 1.00 0.93 C ATOM 1479 CD2 TRP A 94 9.250 -8.824 -3.174 1.00 1.04 C ATOM 1480 NE1 TRP A 94 9.949 -8.339 -5.244 1.00 1.13 N ATOM 1481 CE2 TRP A 94 8.829 -8.461 -4.466 1.00 1.19 C ATOM 1482 CE3 TRP A 94 8.284 -9.009 -2.180 1.00 1.27 C ATOM 1483 CZ2 TRP A 94 7.487 -8.282 -4.791 1.00 1.48 C ATOM 1484 CZ3 TRP A 94 6.952 -8.829 -2.505 1.00 1.55 C ATOM 1485 CH2 TRP A 94 6.564 -8.471 -3.801 1.00 1.63 C ATOM 0 H TRP A 94 13.954 -8.660 -2.117 1.00 0.78 H new ATOM 0 HA TRP A 94 11.599 -7.181 -1.603 1.00 0.75 H new ATOM 0 HB2 TRP A 94 12.419 -9.866 -2.456 1.00 0.82 H new ATOM 0 HB3 TRP A 94 11.037 -9.936 -1.381 1.00 0.82 H new ATOM 0 HD1 TRP A 94 12.073 -8.608 -4.838 1.00 0.93 H new ATOM 0 HE1 TRP A 94 9.960 -8.081 -6.231 1.00 1.13 H new ATOM 0 HE3 TRP A 94 8.573 -9.287 -1.177 1.00 1.27 H new ATOM 0 HZ2 TRP A 94 7.186 -8.004 -5.790 1.00 1.48 H new ATOM 0 HZ3 TRP A 94 6.197 -8.967 -1.745 1.00 1.55 H new ATOM 0 HH2 TRP A 94 5.515 -8.342 -4.023 1.00 1.63 H new ATOM 1496 N SER A 95 11.083 -7.435 0.786 1.00 0.65 N ATOM 1497 CA SER A 95 10.711 -7.586 2.179 1.00 0.65 C ATOM 1498 C SER A 95 9.444 -8.428 2.290 1.00 0.63 C ATOM 1499 O SER A 95 8.761 -8.678 1.289 1.00 0.72 O ATOM 1500 CB SER A 95 10.498 -6.219 2.829 1.00 0.68 C ATOM 1501 OG SER A 95 11.449 -5.275 2.360 1.00 0.94 O ATOM 0 H SER A 95 10.676 -6.622 0.323 1.00 0.65 H new ATOM 0 HA SER A 95 11.521 -8.093 2.704 1.00 0.65 H new ATOM 0 HB2 SER A 95 9.491 -5.863 2.612 1.00 0.68 H new ATOM 0 HB3 SER A 95 10.577 -6.312 3.912 1.00 0.68 H new ATOM 0 HG SER A 95 11.227 -5.016 1.441 1.00 0.94 H new ATOM 1507 N ASP A 96 9.129 -8.851 3.500 1.00 0.69 N ATOM 1508 CA ASP A 96 7.929 -9.633 3.745 1.00 0.74 C ATOM 1509 C ASP A 96 6.729 -8.710 3.923 1.00 0.63 C ATOM 1510 O ASP A 96 6.889 -7.490 3.993 1.00 0.53 O ATOM 1511 CB ASP A 96 8.120 -10.510 4.983 1.00 0.94 C ATOM 1512 CG ASP A 96 7.102 -11.627 5.065 1.00 1.28 C ATOM 1513 OD1 ASP A 96 6.905 -12.335 4.055 1.00 1.57 O ATOM 1514 OD2 ASP A 96 6.482 -11.794 6.135 1.00 1.94 O ATOM 0 H ASP A 96 9.689 -8.666 4.332 1.00 0.69 H new ATOM 0 HA ASP A 96 7.744 -10.279 2.887 1.00 0.74 H new ATOM 0 HB2 ASP A 96 9.123 -10.937 4.971 1.00 0.94 H new ATOM 0 HB3 ASP A 96 8.048 -9.891 5.877 1.00 0.94 H new ATOM 1519 N TRP A 97 5.537 -9.288 3.989 1.00 0.76 N ATOM 1520 CA TRP A 97 4.313 -8.515 4.172 1.00 0.73 C ATOM 1521 C TRP A 97 4.362 -7.754 5.490 1.00 0.60 C ATOM 1522 O TRP A 97 4.364 -8.354 6.566 1.00 0.76 O ATOM 1523 CB TRP A 97 3.103 -9.443 4.130 1.00 0.99 C ATOM 1524 CG TRP A 97 3.030 -10.255 2.872 1.00 1.31 C ATOM 1525 CD1 TRP A 97 2.731 -11.582 2.774 1.00 2.12 C ATOM 1526 CD2 TRP A 97 3.264 -9.795 1.532 1.00 1.05 C ATOM 1527 NE1 TRP A 97 2.771 -11.976 1.461 1.00 2.24 N ATOM 1528 CE2 TRP A 97 3.089 -10.897 0.678 1.00 1.53 C ATOM 1529 CE3 TRP A 97 3.603 -8.559 0.969 1.00 1.10 C ATOM 1530 CZ2 TRP A 97 3.240 -10.805 -0.704 1.00 1.47 C ATOM 1531 CZ3 TRP A 97 3.753 -8.468 -0.401 1.00 1.38 C ATOM 1532 CH2 TRP A 97 3.569 -9.585 -1.225 1.00 1.26 C ATOM 0 H TRP A 97 5.390 -10.295 3.918 1.00 0.76 H new ATOM 0 HA TRP A 97 4.225 -7.790 3.363 1.00 0.73 H new ATOM 0 HB2 TRP A 97 3.137 -10.115 4.988 1.00 0.99 H new ATOM 0 HB3 TRP A 97 2.194 -8.850 4.226 1.00 0.99 H new ATOM 0 HD1 TRP A 97 2.497 -12.228 3.608 1.00 2.12 H new ATOM 0 HE1 TRP A 97 2.593 -12.921 1.121 1.00 2.24 H new ATOM 0 HE3 TRP A 97 3.745 -7.691 1.596 1.00 1.10 H new ATOM 0 HZ2 TRP A 97 3.102 -11.667 -1.341 1.00 1.47 H new ATOM 0 HZ3 TRP A 97 4.017 -7.519 -0.844 1.00 1.38 H new ATOM 0 HH2 TRP A 97 3.689 -9.481 -2.293 1.00 1.26 H new ATOM 1543 N SER A 98 4.579 -6.455 5.393 1.00 0.41 N ATOM 1544 CA SER A 98 4.830 -5.639 6.566 1.00 0.42 C ATOM 1545 C SER A 98 3.549 -5.030 7.141 1.00 0.38 C ATOM 1546 O SER A 98 3.045 -5.480 8.174 1.00 0.46 O ATOM 1547 CB SER A 98 5.838 -4.542 6.218 1.00 0.51 C ATOM 1548 OG SER A 98 6.494 -4.828 4.991 1.00 0.50 O ATOM 0 H SER A 98 4.586 -5.942 4.512 1.00 0.41 H new ATOM 0 HA SER A 98 5.242 -6.287 7.340 1.00 0.42 H new ATOM 0 HB2 SER A 98 5.327 -3.582 6.147 1.00 0.51 H new ATOM 0 HB3 SER A 98 6.574 -4.452 7.017 1.00 0.51 H new ATOM 0 HG SER A 98 7.133 -4.113 4.787 1.00 0.50 H new ATOM 1554 N VAL A 99 3.095 -3.942 6.533 1.00 0.33 N ATOM 1555 CA VAL A 99 1.974 -3.181 7.064 1.00 0.34 C ATOM 1556 C VAL A 99 0.639 -3.650 6.509 1.00 0.32 C ATOM 1557 O VAL A 99 0.306 -3.385 5.354 1.00 0.34 O ATOM 1558 CB VAL A 99 2.128 -1.674 6.780 1.00 0.42 C ATOM 1559 CG1 VAL A 99 1.263 -0.861 7.730 1.00 1.21 C ATOM 1560 CG2 VAL A 99 3.585 -1.252 6.878 1.00 1.32 C ATOM 0 H VAL A 99 3.488 -3.567 5.670 1.00 0.33 H new ATOM 0 HA VAL A 99 1.984 -3.353 8.140 1.00 0.34 H new ATOM 0 HB VAL A 99 1.790 -1.481 5.762 1.00 0.42 H new ATOM 0 HG11 VAL A 99 1.385 0.201 7.515 1.00 1.21 H new ATOM 0 HG12 VAL A 99 0.218 -1.140 7.599 1.00 1.21 H new ATOM 0 HG13 VAL A 99 1.566 -1.060 8.758 1.00 1.21 H new ATOM 0 HG21 VAL A 99 3.669 -0.185 6.674 1.00 1.32 H new ATOM 0 HG22 VAL A 99 3.957 -1.460 7.881 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.175 -1.808 6.150 1.00 1.32 H new ATOM 1570 N ALA A 100 -0.164 -4.238 7.381 1.00 0.36 N ATOM 1571 CA ALA A 100 -1.522 -4.625 7.040 1.00 0.41 C ATOM 1572 C ALA A 100 -2.493 -3.492 7.365 1.00 0.43 C ATOM 1573 O ALA A 100 -2.975 -3.374 8.496 1.00 0.61 O ATOM 1574 CB ALA A 100 -1.907 -5.899 7.779 1.00 0.50 C ATOM 0 H ALA A 100 0.106 -4.459 8.340 1.00 0.36 H new ATOM 0 HA ALA A 100 -1.575 -4.822 5.969 1.00 0.41 H new ATOM 0 HB1 ALA A 100 -2.927 -6.179 7.515 1.00 0.50 H new ATOM 0 HB2 ALA A 100 -1.226 -6.702 7.498 1.00 0.50 H new ATOM 0 HB3 ALA A 100 -1.844 -5.729 8.854 1.00 0.50 H new ATOM 1580 N ALA A 101 -2.741 -2.636 6.385 1.00 0.36 N ATOM 1581 CA ALA A 101 -3.618 -1.489 6.569 1.00 0.36 C ATOM 1582 C ALA A 101 -5.078 -1.877 6.364 1.00 0.41 C ATOM 1583 O ALA A 101 -5.466 -2.339 5.294 1.00 0.73 O ATOM 1584 CB ALA A 101 -3.224 -0.368 5.617 1.00 0.42 C ATOM 0 H ALA A 101 -2.345 -2.715 5.449 1.00 0.36 H new ATOM 0 HA ALA A 101 -3.507 -1.135 7.594 1.00 0.36 H new ATOM 0 HB1 ALA A 101 -3.887 0.484 5.764 1.00 0.42 H new ATOM 0 HB2 ALA A 101 -2.196 -0.066 5.816 1.00 0.42 H new ATOM 0 HB3 ALA A 101 -3.307 -0.719 4.588 1.00 0.42 H new ATOM 1590 N HIS A 102 -5.891 -1.663 7.385 1.00 0.49 N ATOM 1591 CA HIS A 102 -7.319 -1.943 7.293 1.00 0.57 C ATOM 1592 C HIS A 102 -8.079 -0.659 6.999 1.00 0.50 C ATOM 1593 O HIS A 102 -7.847 0.361 7.653 1.00 0.76 O ATOM 1594 CB HIS A 102 -7.831 -2.563 8.591 1.00 0.95 C ATOM 1595 CG HIS A 102 -8.604 -3.826 8.389 1.00 0.79 C ATOM 1596 ND1 HIS A 102 -9.958 -3.849 8.159 1.00 1.60 N ATOM 1597 CD2 HIS A 102 -8.204 -5.118 8.390 1.00 1.24 C ATOM 1598 CE1 HIS A 102 -10.361 -5.097 8.028 1.00 2.18 C ATOM 1599 NE2 HIS A 102 -9.315 -5.891 8.165 1.00 2.00 N ATOM 0 H HIS A 102 -5.589 -1.297 8.288 1.00 0.49 H new ATOM 0 HA HIS A 102 -7.482 -2.653 6.482 1.00 0.57 H new ATOM 0 HB2 HIS A 102 -6.983 -2.767 9.245 1.00 0.95 H new ATOM 0 HB3 HIS A 102 -8.463 -1.839 9.105 1.00 0.95 H new ATOM 0 HD2 HIS A 102 -7.196 -5.475 8.540 1.00 1.24 H new ATOM 0 HE1 HIS A 102 -11.376 -5.416 7.840 1.00 2.18 H new ATOM 0 HE2 HIS A 102 -9.330 -6.910 8.112 1.00 2.00 H new ATOM 1608 N ALA A 103 -8.913 -0.676 5.969 1.00 0.38 N ATOM 1609 CA ALA A 103 -9.623 0.528 5.560 1.00 0.54 C ATOM 1610 C ALA A 103 -10.956 0.215 4.889 1.00 0.36 C ATOM 1611 O ALA A 103 -11.228 -0.929 4.516 1.00 0.35 O ATOM 1612 CB ALA A 103 -8.751 1.349 4.629 1.00 0.91 C ATOM 0 H ALA A 103 -9.114 -1.502 5.405 1.00 0.38 H new ATOM 0 HA ALA A 103 -9.842 1.100 6.461 1.00 0.54 H new ATOM 0 HB1 ALA A 103 -9.288 2.248 4.327 1.00 0.91 H new ATOM 0 HB2 ALA A 103 -7.833 1.630 5.144 1.00 0.91 H new ATOM 0 HB3 ALA A 103 -8.505 0.759 3.746 1.00 0.91 H new ATOM 1618 N THR A 104 -11.782 1.246 4.757 1.00 0.41 N ATOM 1619 CA THR A 104 -13.098 1.139 4.132 1.00 0.38 C ATOM 1620 C THR A 104 -13.546 2.518 3.655 1.00 0.41 C ATOM 1621 O THR A 104 -13.621 3.446 4.456 1.00 0.51 O ATOM 1622 CB THR A 104 -14.156 0.597 5.120 1.00 0.50 C ATOM 1623 OG1 THR A 104 -13.593 -0.431 5.948 1.00 0.73 O ATOM 1624 CG2 THR A 104 -15.365 0.050 4.380 1.00 0.70 C ATOM 0 H THR A 104 -11.558 2.186 5.082 1.00 0.41 H new ATOM 0 HA THR A 104 -13.013 0.445 3.296 1.00 0.38 H new ATOM 0 HB THR A 104 -14.478 1.427 5.748 1.00 0.50 H new ATOM 0 HG1 THR A 104 -14.276 -0.762 6.568 1.00 0.73 H new ATOM 0 HG21 THR A 104 -16.093 -0.325 5.099 1.00 0.70 H new ATOM 0 HG22 THR A 104 -15.817 0.844 3.786 1.00 0.70 H new ATOM 0 HG23 THR A 104 -15.053 -0.762 3.723 1.00 0.70 H new ATOM 1632 N PRO A 105 -13.786 2.699 2.343 1.00 0.36 N ATOM 1633 CA PRO A 105 -14.205 3.994 1.808 1.00 0.38 C ATOM 1634 C PRO A 105 -15.622 4.365 2.251 1.00 0.40 C ATOM 1635 O PRO A 105 -16.114 3.874 3.272 1.00 0.59 O ATOM 1636 CB PRO A 105 -14.130 3.827 0.287 1.00 0.44 C ATOM 1637 CG PRO A 105 -14.086 2.357 0.026 1.00 0.45 C ATOM 1638 CD PRO A 105 -13.619 1.682 1.293 1.00 0.40 C ATOM 0 HA PRO A 105 -13.570 4.802 2.171 1.00 0.38 H new ATOM 0 HB2 PRO A 105 -14.995 4.282 -0.197 1.00 0.44 H new ATOM 0 HB3 PRO A 105 -13.244 4.319 -0.115 1.00 0.44 H new ATOM 0 HG2 PRO A 105 -15.071 1.990 -0.263 1.00 0.45 H new ATOM 0 HG3 PRO A 105 -13.408 2.135 -0.798 1.00 0.45 H new ATOM 0 HD2 PRO A 105 -14.209 0.791 1.507 1.00 0.40 H new ATOM 0 HD3 PRO A 105 -12.580 1.364 1.212 1.00 0.40 H new ATOM 1646 N TRP A 106 -16.253 5.278 1.530 1.00 0.35 N ATOM 1647 CA TRP A 106 -17.578 5.744 1.904 1.00 0.41 C ATOM 1648 C TRP A 106 -18.599 4.621 1.779 1.00 0.48 C ATOM 1649 O TRP A 106 -18.955 4.213 0.678 1.00 0.65 O ATOM 1650 CB TRP A 106 -17.997 6.926 1.039 1.00 0.51 C ATOM 1651 CG TRP A 106 -19.177 7.660 1.584 1.00 0.77 C ATOM 1652 CD1 TRP A 106 -19.258 8.293 2.788 1.00 1.25 C ATOM 1653 CD2 TRP A 106 -20.449 7.828 0.953 1.00 0.74 C ATOM 1654 NE1 TRP A 106 -20.500 8.853 2.943 1.00 1.46 N ATOM 1655 CE2 TRP A 106 -21.252 8.579 1.829 1.00 1.13 C ATOM 1656 CE3 TRP A 106 -20.986 7.421 -0.272 1.00 0.73 C ATOM 1657 CZ2 TRP A 106 -22.563 8.930 1.521 1.00 1.25 C ATOM 1658 CZ3 TRP A 106 -22.288 7.768 -0.576 1.00 0.92 C ATOM 1659 CH2 TRP A 106 -23.063 8.516 0.318 1.00 1.07 C ATOM 0 H TRP A 106 -15.872 5.709 0.688 1.00 0.35 H new ATOM 0 HA TRP A 106 -17.539 6.068 2.944 1.00 0.41 H new ATOM 0 HB2 TRP A 106 -17.158 7.616 0.946 1.00 0.51 H new ATOM 0 HB3 TRP A 106 -18.230 6.570 0.035 1.00 0.51 H new ATOM 0 HD1 TRP A 106 -18.460 8.346 3.514 1.00 1.25 H new ATOM 0 HE1 TRP A 106 -20.813 9.386 3.754 1.00 1.46 H new ATOM 0 HE3 TRP A 106 -20.394 6.846 -0.968 1.00 0.73 H new ATOM 0 HZ2 TRP A 106 -23.163 9.508 2.207 1.00 1.25 H new ATOM 0 HZ3 TRP A 106 -22.715 7.457 -1.518 1.00 0.92 H new ATOM 0 HH2 TRP A 106 -24.078 8.772 0.052 1.00 1.07 H new ATOM 1670 N THR A 107 -19.089 4.152 2.911 1.00 0.60 N ATOM 1671 CA THR A 107 -20.090 3.113 2.929 1.00 0.75 C ATOM 1672 C THR A 107 -21.419 3.664 2.438 1.00 0.82 C ATOM 1673 O THR A 107 -22.044 4.497 3.097 1.00 0.89 O ATOM 1674 CB THR A 107 -20.241 2.512 4.338 1.00 0.96 C ATOM 1675 OG1 THR A 107 -18.971 2.001 4.777 1.00 1.19 O ATOM 1676 CG2 THR A 107 -21.274 1.393 4.355 1.00 1.19 C ATOM 0 H THR A 107 -18.805 4.480 3.834 1.00 0.60 H new ATOM 0 HA THR A 107 -19.769 2.315 2.260 1.00 0.75 H new ATOM 0 HB THR A 107 -20.582 3.299 5.011 1.00 0.96 H new ATOM 0 HG1 THR A 107 -18.568 1.467 4.061 1.00 1.19 H new ATOM 0 HG21 THR A 107 -21.357 0.990 5.364 1.00 1.19 H new ATOM 0 HG22 THR A 107 -22.241 1.786 4.041 1.00 1.19 H new ATOM 0 HG23 THR A 107 -20.964 0.602 3.672 1.00 1.19 H new ATOM 1684 N GLU A 108 -21.752 3.307 1.209 1.00 1.03 N ATOM 1685 CA GLU A 108 -22.932 3.821 0.540 1.00 1.27 C ATOM 1686 C GLU A 108 -24.196 3.507 1.334 1.00 1.32 C ATOM 1687 O GLU A 108 -24.631 2.357 1.408 1.00 1.87 O ATOM 1688 CB GLU A 108 -23.016 3.219 -0.856 1.00 1.77 C ATOM 1689 CG GLU A 108 -23.198 4.250 -1.955 1.00 2.11 C ATOM 1690 CD GLU A 108 -23.763 3.650 -3.223 1.00 2.75 C ATOM 1691 OE1 GLU A 108 -22.970 3.185 -4.068 1.00 3.11 O ATOM 1692 OE2 GLU A 108 -25.000 3.637 -3.383 1.00 3.25 O ATOM 0 H GLU A 108 -21.210 2.651 0.647 1.00 1.03 H new ATOM 0 HA GLU A 108 -22.852 4.906 0.466 1.00 1.27 H new ATOM 0 HB2 GLU A 108 -22.108 2.649 -1.052 1.00 1.77 H new ATOM 0 HB3 GLU A 108 -23.847 2.515 -0.889 1.00 1.77 H new ATOM 0 HG2 GLU A 108 -23.863 5.039 -1.602 1.00 2.11 H new ATOM 0 HG3 GLU A 108 -22.238 4.717 -2.174 1.00 2.11 H new ATOM 1699 N GLU A 109 -24.746 4.534 1.963 1.00 1.51 N ATOM 1700 CA GLU A 109 -25.930 4.391 2.792 1.00 1.77 C ATOM 1701 C GLU A 109 -27.167 4.167 1.934 1.00 2.52 C ATOM 1702 O GLU A 109 -28.126 3.536 2.425 1.00 3.20 O ATOM 1703 CB GLU A 109 -26.112 5.637 3.663 1.00 2.25 C ATOM 1704 CG GLU A 109 -25.666 5.446 5.102 1.00 2.64 C ATOM 1705 CD GLU A 109 -26.823 5.133 6.023 1.00 3.64 C ATOM 1706 OE1 GLU A 109 -27.477 6.078 6.508 1.00 4.37 O ATOM 1707 OE2 GLU A 109 -27.078 3.939 6.281 1.00 3.99 O ATOM 1708 OXT GLU A 109 -27.172 4.619 0.767 1.00 2.99 O ATOM 0 H GLU A 109 -24.385 5.487 1.913 1.00 1.51 H new ATOM 0 HA GLU A 109 -25.798 3.521 3.435 1.00 1.77 H new ATOM 0 HB2 GLU A 109 -25.550 6.462 3.224 1.00 2.25 H new ATOM 0 HB3 GLU A 109 -27.163 5.926 3.653 1.00 2.25 H new ATOM 0 HG2 GLU A 109 -24.937 4.637 5.150 1.00 2.64 H new ATOM 0 HG3 GLU A 109 -25.163 6.349 5.447 1.00 2.64 H new TER 1715 GLU A 109