USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 813 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 64 HIS : no HD1:sc= -1.28 K(o=-0.31,f=-2.7) USER MOD Set 1.2: A 65 THR OG1 : rot 80:sc= 0.972 USER MOD Set 2.1: A 60 LYS NZ :NH3+ -160:sc= -2.17! (180deg=-2.97!) USER MOD Set 2.2: A 61 THR OG1 : rot 75:sc= 0.268 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.322 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -30:sc= 0.203 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -82:sc= 0.331 USER MOD Single : A 49 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-2.9!) USER MOD Single : A 51 THR OG1 : rot -127:sc= -0.458 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.0975 (180deg=-0.505) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= -1.88! (180deg=-3.69!) USER MOD Single : A 69 SER OG : rot 65:sc= 0.0865 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.085) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -0.635 K(o=-0.64,f=-2.4!) USER MOD Single : A 88 ASN : amide:sc= -0.462 K(o=-0.46,f=-3!) USER MOD Single : A 90 HIS : no HD1:sc= -0.753 K(o=-0.75,f=-2.2) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 95 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 96 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.14) USER MOD Single : A 97 GLN : amide:sc= -2.3 K(o=-2.3,f=-0.26) USER MOD Single : A 98 MET CE :methyl -160:sc= -0.14 (180deg=-0.708) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.339 X(o=-0.34,f=-0.13) USER MOD Single : A 104 ASN : amide:sc= -1.03 K(o=-1,f=-0.00029) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 9 -24.913 8.566 -0.129 1.00 8.26 N ATOM 2 CA GLN A 9 -26.303 8.429 0.287 1.00 8.38 C ATOM 3 C GLN A 9 -26.610 6.985 0.677 1.00 8.05 C ATOM 4 O GLN A 9 -25.715 6.235 1.065 1.00 8.42 O ATOM 5 CB GLN A 9 -27.236 8.881 -0.839 1.00 8.41 C ATOM 6 CG GLN A 9 -27.040 10.331 -1.247 1.00 8.89 C ATOM 7 CD GLN A 9 -27.981 10.758 -2.355 1.00 9.72 C ATOM 8 OE1 GLN A 9 -29.086 11.235 -2.099 1.00 10.30 O ATOM 9 NE2 GLN A 9 -27.545 10.588 -3.599 1.00 9.99 N ATOM 0 HA GLN A 9 -26.466 9.063 1.159 1.00 8.38 H new ATOM 0 HB2 GLN A 9 -27.078 8.243 -1.709 1.00 8.41 H new ATOM 0 HB3 GLN A 9 -28.269 8.738 -0.523 1.00 8.41 H new ATOM 0 HG2 GLN A 9 -27.192 10.972 -0.379 1.00 8.89 H new ATOM 0 HG3 GLN A 9 -26.010 10.476 -1.574 1.00 8.89 H new ATOM 0 HE21 GLN A 9 -26.621 10.189 -3.766 1.00 9.99 H new ATOM 0 HE22 GLN A 9 -28.134 10.857 -4.387 1.00 9.99 H new ATOM 18 N ARG A 10 -27.882 6.609 0.577 1.00 7.57 N ATOM 19 CA ARG A 10 -28.317 5.256 0.913 1.00 7.46 C ATOM 20 C ARG A 10 -27.443 4.209 0.228 1.00 6.76 C ATOM 21 O ARG A 10 -27.187 3.142 0.784 1.00 6.75 O ATOM 22 CB ARG A 10 -29.778 5.062 0.506 1.00 8.23 C ATOM 23 CG ARG A 10 -30.044 5.382 -0.956 1.00 8.36 C ATOM 24 CD ARG A 10 -31.524 5.290 -1.288 1.00 8.89 C ATOM 25 NE ARG A 10 -32.323 6.218 -0.492 1.00 8.82 N ATOM 26 CZ ARG A 10 -33.575 6.557 -0.786 1.00 9.40 C ATOM 27 NH1 ARG A 10 -34.169 6.046 -1.856 1.00 10.10 N ATOM 28 NH2 ARG A 10 -34.233 7.406 -0.010 1.00 9.45 N ATOM 0 H ARG A 10 -28.633 7.225 0.265 1.00 7.57 H new ATOM 0 HA ARG A 10 -28.220 5.126 1.991 1.00 7.46 H new ATOM 0 HB2 ARG A 10 -30.069 4.030 0.703 1.00 8.23 H new ATOM 0 HB3 ARG A 10 -30.409 5.696 1.130 1.00 8.23 H new ATOM 0 HG2 ARG A 10 -29.682 6.385 -1.181 1.00 8.36 H new ATOM 0 HG3 ARG A 10 -29.485 4.692 -1.588 1.00 8.36 H new ATOM 0 HD2 ARG A 10 -31.672 5.501 -2.347 1.00 8.89 H new ATOM 0 HD3 ARG A 10 -31.872 4.272 -1.115 1.00 8.89 H new ATOM 0 HE ARG A 10 -31.896 6.630 0.338 1.00 8.82 H new ATOM 0 HH11 ARG A 10 -33.666 5.392 -2.455 1.00 10.10 H new ATOM 0 HH12 ARG A 10 -35.129 6.307 -2.080 1.00 10.10 H new ATOM 0 HH21 ARG A 10 -33.779 7.800 0.814 1.00 9.45 H new ATOM 0 HH22 ARG A 10 -35.193 7.665 -0.237 1.00 9.45 H new ATOM 42 N ARG A 11 -26.989 4.522 -0.982 1.00 6.32 N ATOM 43 CA ARG A 11 -26.144 3.607 -1.741 1.00 5.75 C ATOM 44 C ARG A 11 -24.667 3.891 -1.482 1.00 5.04 C ATOM 45 O ARG A 11 -24.225 5.039 -1.545 1.00 4.84 O ATOM 46 CB ARG A 11 -26.444 3.725 -3.236 1.00 5.76 C ATOM 47 CG ARG A 11 -25.637 2.766 -4.098 1.00 5.43 C ATOM 48 CD ARG A 11 -25.999 2.899 -5.569 1.00 5.88 C ATOM 49 NE ARG A 11 -27.409 2.604 -5.815 1.00 6.18 N ATOM 50 CZ ARG A 11 -27.939 2.497 -7.030 1.00 6.80 C ATOM 51 NH1 ARG A 11 -27.181 2.659 -8.106 1.00 7.18 N ATOM 52 NH2 ARG A 11 -29.230 2.227 -7.169 1.00 7.28 N ATOM 0 H ARG A 11 -27.192 5.401 -1.457 1.00 6.32 H new ATOM 0 HA ARG A 11 -26.363 2.591 -1.413 1.00 5.75 H new ATOM 0 HB2 ARG A 11 -27.506 3.542 -3.400 1.00 5.76 H new ATOM 0 HB3 ARG A 11 -26.243 4.747 -3.559 1.00 5.76 H new ATOM 0 HG2 ARG A 11 -24.573 2.963 -3.965 1.00 5.43 H new ATOM 0 HG3 ARG A 11 -25.815 1.742 -3.770 1.00 5.43 H new ATOM 0 HD2 ARG A 11 -25.776 3.911 -5.907 1.00 5.88 H new ATOM 0 HD3 ARG A 11 -25.379 2.223 -6.157 1.00 5.88 H new ATOM 0 HE ARG A 11 -28.021 2.473 -5.010 1.00 6.18 H new ATOM 0 HH11 ARG A 11 -26.188 2.866 -8.003 1.00 7.18 H new ATOM 0 HH12 ARG A 11 -27.591 2.576 -9.036 1.00 7.18 H new ATOM 0 HH21 ARG A 11 -29.816 2.101 -6.344 1.00 7.28 H new ATOM 0 HH22 ARG A 11 -29.636 2.145 -8.101 1.00 7.28 H new ATOM 66 N ILE A 12 -23.909 2.838 -1.191 1.00 4.89 N ATOM 67 CA ILE A 12 -22.484 2.972 -0.921 1.00 4.36 C ATOM 68 C ILE A 12 -21.677 2.951 -2.214 1.00 3.79 C ATOM 69 O ILE A 12 -21.923 2.130 -3.098 1.00 4.02 O ATOM 70 CB ILE A 12 -21.979 1.848 0.008 1.00 4.71 C ATOM 71 CG1 ILE A 12 -22.806 1.803 1.298 1.00 5.62 C ATOM 72 CG2 ILE A 12 -20.501 2.038 0.324 1.00 4.84 C ATOM 73 CD1 ILE A 12 -22.744 3.080 2.113 1.00 6.21 C ATOM 0 H ILE A 12 -24.260 1.882 -1.136 1.00 4.89 H new ATOM 0 HA ILE A 12 -22.344 3.932 -0.424 1.00 4.36 H new ATOM 0 HB ILE A 12 -22.099 0.896 -0.509 1.00 4.71 H new ATOM 0 HG12 ILE A 12 -23.846 1.596 1.044 1.00 5.62 H new ATOM 0 HG13 ILE A 12 -22.457 0.974 1.913 1.00 5.62 H new ATOM 0 HG21 ILE A 12 -20.163 1.236 0.980 1.00 4.84 H new ATOM 0 HG22 ILE A 12 -19.925 2.017 -0.601 1.00 4.84 H new ATOM 0 HG23 ILE A 12 -20.355 2.998 0.820 1.00 4.84 H new ATOM 0 HD11 ILE A 12 -23.354 2.970 3.009 1.00 6.21 H new ATOM 0 HD12 ILE A 12 -21.711 3.279 2.399 1.00 6.21 H new ATOM 0 HD13 ILE A 12 -23.122 3.911 1.517 1.00 6.21 H new ATOM 85 N ARG A 13 -20.712 3.859 -2.319 1.00 3.43 N ATOM 86 CA ARG A 13 -19.866 3.948 -3.503 1.00 3.21 C ATOM 87 C ARG A 13 -18.429 4.284 -3.125 1.00 2.80 C ATOM 88 O ARG A 13 -18.183 5.005 -2.157 1.00 3.29 O ATOM 89 CB ARG A 13 -20.410 5.003 -4.468 1.00 3.62 C ATOM 90 CG ARG A 13 -21.704 4.591 -5.148 1.00 4.26 C ATOM 91 CD ARG A 13 -22.336 5.755 -5.895 1.00 4.91 C ATOM 92 NE ARG A 13 -21.446 6.296 -6.919 1.00 5.18 N ATOM 93 CZ ARG A 13 -21.689 7.418 -7.591 1.00 5.90 C ATOM 94 NH1 ARG A 13 -22.792 8.115 -7.347 1.00 6.31 N ATOM 95 NH2 ARG A 13 -20.831 7.843 -8.507 1.00 6.48 N ATOM 0 H ARG A 13 -20.496 4.545 -1.596 1.00 3.43 H new ATOM 0 HA ARG A 13 -19.874 2.975 -3.995 1.00 3.21 H new ATOM 0 HB2 ARG A 13 -20.575 5.932 -3.923 1.00 3.62 H new ATOM 0 HB3 ARG A 13 -19.658 5.210 -5.230 1.00 3.62 H new ATOM 0 HG2 ARG A 13 -21.507 3.775 -5.843 1.00 4.26 H new ATOM 0 HG3 ARG A 13 -22.404 4.213 -4.403 1.00 4.26 H new ATOM 0 HD2 ARG A 13 -23.265 5.426 -6.360 1.00 4.91 H new ATOM 0 HD3 ARG A 13 -22.595 6.542 -5.187 1.00 4.91 H new ATOM 0 HE ARG A 13 -20.589 5.784 -7.131 1.00 5.18 H new ATOM 0 HH11 ARG A 13 -23.455 7.791 -6.643 1.00 6.31 H new ATOM 0 HH12 ARG A 13 -22.976 8.975 -7.863 1.00 6.31 H new ATOM 0 HH21 ARG A 13 -19.983 7.310 -8.698 1.00 6.48 H new ATOM 0 HH22 ARG A 13 -21.019 8.704 -9.021 1.00 6.48 H new ATOM 109 N ARG A 14 -17.485 3.757 -3.896 1.00 2.39 N ATOM 110 CA ARG A 14 -16.068 3.997 -3.650 1.00 2.25 C ATOM 111 C ARG A 14 -15.324 4.256 -4.962 1.00 1.54 C ATOM 112 O ARG A 14 -15.434 3.473 -5.905 1.00 1.59 O ATOM 113 CB ARG A 14 -15.445 2.802 -2.924 1.00 2.88 C ATOM 114 CG ARG A 14 -15.944 2.618 -1.500 1.00 3.82 C ATOM 115 CD ARG A 14 -15.256 3.573 -0.534 1.00 4.45 C ATOM 116 NE ARG A 14 -15.580 4.970 -0.812 1.00 4.89 N ATOM 117 CZ ARG A 14 -14.918 5.998 -0.290 1.00 5.81 C ATOM 118 NH1 ARG A 14 -13.898 5.789 0.532 1.00 6.35 N ATOM 119 NH2 ARG A 14 -15.275 7.239 -0.592 1.00 6.47 N ATOM 0 H ARG A 14 -17.676 3.159 -4.700 1.00 2.39 H new ATOM 0 HA ARG A 14 -15.978 4.882 -3.021 1.00 2.25 H new ATOM 0 HB2 ARG A 14 -15.654 1.895 -3.492 1.00 2.88 H new ATOM 0 HB3 ARG A 14 -14.362 2.925 -2.906 1.00 2.88 H new ATOM 0 HG2 ARG A 14 -17.021 2.782 -1.468 1.00 3.82 H new ATOM 0 HG3 ARG A 14 -15.768 1.590 -1.183 1.00 3.82 H new ATOM 0 HD2 ARG A 14 -15.552 3.330 0.487 1.00 4.45 H new ATOM 0 HD3 ARG A 14 -14.177 3.433 -0.595 1.00 4.45 H new ATOM 0 HE ARG A 14 -16.358 5.168 -1.442 1.00 4.89 H new ATOM 0 HH11 ARG A 14 -13.619 4.836 0.766 1.00 6.35 H new ATOM 0 HH12 ARG A 14 -13.393 6.581 0.930 1.00 6.35 H new ATOM 0 HH21 ARG A 14 -16.058 7.405 -1.225 1.00 6.47 H new ATOM 0 HH22 ARG A 14 -14.767 8.028 -0.191 1.00 6.47 H new ATOM 133 N PRO A 15 -14.553 5.359 -5.042 1.00 1.40 N ATOM 134 CA PRO A 15 -13.799 5.705 -6.248 1.00 1.25 C ATOM 135 C PRO A 15 -12.499 4.920 -6.372 1.00 1.00 C ATOM 136 O PRO A 15 -12.109 4.514 -7.467 1.00 1.07 O ATOM 137 CB PRO A 15 -13.510 7.191 -6.054 1.00 1.94 C ATOM 138 CG PRO A 15 -13.410 7.362 -4.578 1.00 2.39 C ATOM 139 CD PRO A 15 -14.359 6.359 -3.969 1.00 2.07 C ATOM 0 HA PRO A 15 -14.351 5.472 -7.159 1.00 1.25 H new ATOM 0 HB2 PRO A 15 -12.585 7.484 -6.551 1.00 1.94 H new ATOM 0 HB3 PRO A 15 -14.305 7.808 -6.472 1.00 1.94 H new ATOM 0 HG2 PRO A 15 -12.390 7.190 -4.235 1.00 2.39 H new ATOM 0 HG3 PRO A 15 -13.677 8.377 -4.285 1.00 2.39 H new ATOM 0 HD2 PRO A 15 -13.939 5.906 -3.071 1.00 2.07 H new ATOM 0 HD3 PRO A 15 -15.302 6.824 -3.681 1.00 2.07 H new ATOM 147 N PHE A 16 -11.828 4.707 -5.243 1.00 0.81 N ATOM 148 CA PHE A 16 -10.566 3.973 -5.230 1.00 0.61 C ATOM 149 C PHE A 16 -10.658 2.727 -4.354 1.00 0.56 C ATOM 150 O PHE A 16 -11.597 2.567 -3.576 1.00 0.82 O ATOM 151 CB PHE A 16 -9.434 4.873 -4.734 1.00 0.81 C ATOM 152 CG PHE A 16 -9.085 5.981 -5.684 1.00 0.89 C ATOM 153 CD1 PHE A 16 -9.773 7.182 -5.654 1.00 1.09 C ATOM 154 CD2 PHE A 16 -8.066 5.821 -6.612 1.00 1.37 C ATOM 155 CE1 PHE A 16 -9.454 8.204 -6.527 1.00 1.64 C ATOM 156 CE2 PHE A 16 -7.742 6.838 -7.487 1.00 2.11 C ATOM 157 CZ PHE A 16 -8.436 8.031 -7.446 1.00 2.20 C ATOM 0 H PHE A 16 -12.137 5.032 -4.327 1.00 0.81 H new ATOM 0 HA PHE A 16 -10.354 3.657 -6.252 1.00 0.61 H new ATOM 0 HB2 PHE A 16 -9.719 5.305 -3.775 1.00 0.81 H new ATOM 0 HB3 PHE A 16 -8.547 4.264 -4.559 1.00 0.81 H new ATOM 0 HD1 PHE A 16 -10.570 7.322 -4.938 1.00 1.09 H new ATOM 0 HD2 PHE A 16 -7.520 4.890 -6.650 1.00 1.37 H new ATOM 0 HE1 PHE A 16 -9.999 9.136 -6.492 1.00 1.64 H new ATOM 0 HE2 PHE A 16 -6.946 6.701 -8.204 1.00 2.11 H new ATOM 0 HZ PHE A 16 -8.184 8.827 -8.131 1.00 2.20 H new ATOM 167 N SER A 17 -9.668 1.850 -4.492 1.00 0.42 N ATOM 168 CA SER A 17 -9.617 0.614 -3.722 1.00 0.41 C ATOM 169 C SER A 17 -8.211 0.024 -3.759 1.00 0.37 C ATOM 170 O SER A 17 -7.357 0.497 -4.508 1.00 0.35 O ATOM 171 CB SER A 17 -10.626 -0.397 -4.271 1.00 0.48 C ATOM 172 OG SER A 17 -10.557 -1.623 -3.566 1.00 1.35 O ATOM 0 H SER A 17 -8.886 1.975 -5.135 1.00 0.42 H new ATOM 0 HA SER A 17 -9.875 0.840 -2.687 1.00 0.41 H new ATOM 0 HB2 SER A 17 -11.633 0.013 -4.196 1.00 0.48 H new ATOM 0 HB3 SER A 17 -10.431 -0.571 -5.329 1.00 0.48 H new ATOM 0 HG SER A 17 -11.213 -2.250 -3.936 1.00 1.35 H new ATOM 178 N VAL A 18 -7.976 -1.007 -2.948 1.00 0.38 N ATOM 179 CA VAL A 18 -6.671 -1.661 -2.892 1.00 0.37 C ATOM 180 C VAL A 18 -6.122 -1.936 -4.292 1.00 0.32 C ATOM 181 O VAL A 18 -4.915 -1.844 -4.526 1.00 0.30 O ATOM 182 CB VAL A 18 -6.741 -2.985 -2.103 1.00 0.42 C ATOM 183 CG1 VAL A 18 -7.724 -3.948 -2.752 1.00 0.44 C ATOM 184 CG2 VAL A 18 -5.361 -3.617 -1.988 1.00 0.44 C ATOM 0 H VAL A 18 -8.674 -1.407 -2.321 1.00 0.38 H new ATOM 0 HA VAL A 18 -5.998 -0.975 -2.378 1.00 0.37 H new ATOM 0 HB VAL A 18 -7.098 -2.763 -1.097 1.00 0.42 H new ATOM 0 HG11 VAL A 18 -7.757 -4.875 -2.179 1.00 0.44 H new ATOM 0 HG12 VAL A 18 -8.716 -3.497 -2.771 1.00 0.44 H new ATOM 0 HG13 VAL A 18 -7.404 -4.163 -3.771 1.00 0.44 H new ATOM 0 HG21 VAL A 18 -5.433 -4.549 -1.428 1.00 0.44 H new ATOM 0 HG22 VAL A 18 -4.970 -3.822 -2.985 1.00 0.44 H new ATOM 0 HG23 VAL A 18 -4.690 -2.933 -1.469 1.00 0.44 H new ATOM 194 N ALA A 19 -7.017 -2.266 -5.220 1.00 0.33 N ATOM 195 CA ALA A 19 -6.624 -2.550 -6.595 1.00 0.32 C ATOM 196 C ALA A 19 -5.892 -1.360 -7.207 1.00 0.28 C ATOM 197 O ALA A 19 -4.841 -1.520 -7.828 1.00 0.33 O ATOM 198 CB ALA A 19 -7.844 -2.909 -7.430 1.00 0.37 C ATOM 0 H ALA A 19 -8.019 -2.343 -5.043 1.00 0.33 H new ATOM 0 HA ALA A 19 -5.943 -3.401 -6.587 1.00 0.32 H new ATOM 0 HB1 ALA A 19 -7.535 -3.118 -8.454 1.00 0.37 H new ATOM 0 HB2 ALA A 19 -8.326 -3.791 -7.009 1.00 0.37 H new ATOM 0 HB3 ALA A 19 -8.546 -2.075 -7.426 1.00 0.37 H new ATOM 204 N GLU A 20 -6.454 -0.170 -7.027 1.00 0.27 N ATOM 205 CA GLU A 20 -5.852 1.048 -7.554 1.00 0.27 C ATOM 206 C GLU A 20 -4.594 1.401 -6.770 1.00 0.25 C ATOM 207 O GLU A 20 -3.631 1.939 -7.323 1.00 0.25 O ATOM 208 CB GLU A 20 -6.850 2.209 -7.491 1.00 0.34 C ATOM 209 CG GLU A 20 -8.006 2.078 -8.472 1.00 1.24 C ATOM 210 CD GLU A 20 -8.891 0.883 -8.178 1.00 1.97 C ATOM 211 OE1 GLU A 20 -9.800 1.011 -7.331 1.00 2.38 O ATOM 212 OE2 GLU A 20 -8.679 -0.180 -8.798 1.00 2.51 O ATOM 0 H GLU A 20 -7.327 -0.023 -6.520 1.00 0.27 H new ATOM 0 HA GLU A 20 -5.581 0.874 -8.595 1.00 0.27 H new ATOM 0 HB2 GLU A 20 -7.250 2.278 -6.479 1.00 0.34 H new ATOM 0 HB3 GLU A 20 -6.321 3.142 -7.689 1.00 0.34 H new ATOM 0 HG2 GLU A 20 -8.608 2.986 -8.442 1.00 1.24 H new ATOM 0 HG3 GLU A 20 -7.610 1.991 -9.484 1.00 1.24 H new ATOM 219 N VAL A 21 -4.610 1.097 -5.475 1.00 0.26 N ATOM 220 CA VAL A 21 -3.471 1.371 -4.610 1.00 0.27 C ATOM 221 C VAL A 21 -2.212 0.706 -5.154 1.00 0.21 C ATOM 222 O VAL A 21 -1.114 1.248 -5.033 1.00 0.22 O ATOM 223 CB VAL A 21 -3.722 0.882 -3.169 1.00 0.34 C ATOM 224 CG1 VAL A 21 -2.518 1.173 -2.285 1.00 0.40 C ATOM 225 CG2 VAL A 21 -4.974 1.527 -2.598 1.00 0.42 C ATOM 0 H VAL A 21 -5.402 0.660 -5.003 1.00 0.26 H new ATOM 0 HA VAL A 21 -3.334 2.452 -4.591 1.00 0.27 H new ATOM 0 HB VAL A 21 -3.873 -0.197 -3.195 1.00 0.34 H new ATOM 0 HG11 VAL A 21 -2.716 0.820 -1.273 1.00 0.40 H new ATOM 0 HG12 VAL A 21 -1.642 0.661 -2.683 1.00 0.40 H new ATOM 0 HG13 VAL A 21 -2.332 2.247 -2.265 1.00 0.40 H new ATOM 0 HG21 VAL A 21 -5.135 1.170 -1.581 1.00 0.42 H new ATOM 0 HG22 VAL A 21 -4.853 2.610 -2.588 1.00 0.42 H new ATOM 0 HG23 VAL A 21 -5.833 1.264 -3.215 1.00 0.42 H new ATOM 235 N GLU A 22 -2.381 -0.470 -5.758 1.00 0.21 N ATOM 236 CA GLU A 22 -1.256 -1.203 -6.332 1.00 0.22 C ATOM 237 C GLU A 22 -0.451 -0.297 -7.258 1.00 0.22 C ATOM 238 O GLU A 22 0.761 -0.137 -7.094 1.00 0.25 O ATOM 239 CB GLU A 22 -1.760 -2.431 -7.098 1.00 0.25 C ATOM 240 CG GLU A 22 -0.670 -3.432 -7.449 1.00 1.19 C ATOM 241 CD GLU A 22 0.252 -2.941 -8.549 1.00 1.71 C ATOM 242 OE1 GLU A 22 -0.152 -2.992 -9.729 1.00 1.91 O ATOM 243 OE2 GLU A 22 1.378 -2.505 -8.227 1.00 2.37 O ATOM 0 H GLU A 22 -3.284 -0.933 -5.862 1.00 0.21 H new ATOM 0 HA GLU A 22 -0.608 -1.537 -5.522 1.00 0.22 H new ATOM 0 HB2 GLU A 22 -2.521 -2.933 -6.500 1.00 0.25 H new ATOM 0 HB3 GLU A 22 -2.244 -2.100 -8.017 1.00 0.25 H new ATOM 0 HG2 GLU A 22 -0.081 -3.647 -6.558 1.00 1.19 H new ATOM 0 HG3 GLU A 22 -1.131 -4.369 -7.760 1.00 1.19 H new ATOM 250 N ALA A 23 -1.136 0.296 -8.231 1.00 0.22 N ATOM 251 CA ALA A 23 -0.490 1.202 -9.172 1.00 0.29 C ATOM 252 C ALA A 23 0.178 2.345 -8.426 1.00 0.29 C ATOM 253 O ALA A 23 1.308 2.732 -8.732 1.00 0.33 O ATOM 254 CB ALA A 23 -1.505 1.739 -10.169 1.00 0.35 C ATOM 0 H ALA A 23 -2.135 0.165 -8.388 1.00 0.22 H new ATOM 0 HA ALA A 23 0.274 0.651 -9.720 1.00 0.29 H new ATOM 0 HB1 ALA A 23 -1.008 2.414 -10.866 1.00 0.35 H new ATOM 0 HB2 ALA A 23 -1.947 0.909 -10.721 1.00 0.35 H new ATOM 0 HB3 ALA A 23 -2.288 2.279 -9.636 1.00 0.35 H new ATOM 260 N LEU A 24 -0.533 2.881 -7.437 1.00 0.27 N ATOM 261 CA LEU A 24 -0.014 3.974 -6.628 1.00 0.32 C ATOM 262 C LEU A 24 1.293 3.565 -5.956 1.00 0.31 C ATOM 263 O LEU A 24 2.166 4.398 -5.722 1.00 0.35 O ATOM 264 CB LEU A 24 -1.044 4.394 -5.575 1.00 0.37 C ATOM 265 CG LEU A 24 -0.649 5.603 -4.722 1.00 0.46 C ATOM 266 CD1 LEU A 24 -0.428 6.830 -5.595 1.00 0.54 C ATOM 267 CD2 LEU A 24 -1.715 5.882 -3.672 1.00 0.53 C ATOM 0 H LEU A 24 -1.471 2.574 -7.179 1.00 0.27 H new ATOM 0 HA LEU A 24 0.183 4.824 -7.281 1.00 0.32 H new ATOM 0 HB2 LEU A 24 -1.985 4.617 -6.079 1.00 0.37 H new ATOM 0 HB3 LEU A 24 -1.229 3.548 -4.913 1.00 0.37 H new ATOM 0 HG LEU A 24 0.288 5.373 -4.214 1.00 0.46 H new ATOM 0 HD11 LEU A 24 -0.148 7.677 -4.968 1.00 0.54 H new ATOM 0 HD12 LEU A 24 0.370 6.629 -6.310 1.00 0.54 H new ATOM 0 HD13 LEU A 24 -1.347 7.064 -6.133 1.00 0.54 H new ATOM 0 HD21 LEU A 24 -1.420 6.744 -3.074 1.00 0.53 H new ATOM 0 HD22 LEU A 24 -2.665 6.090 -4.164 1.00 0.53 H new ATOM 0 HD23 LEU A 24 -1.825 5.012 -3.025 1.00 0.53 H new ATOM 279 N VAL A 25 1.415 2.276 -5.648 1.00 0.35 N ATOM 280 CA VAL A 25 2.622 1.754 -5.015 1.00 0.42 C ATOM 281 C VAL A 25 3.790 1.789 -5.991 1.00 0.40 C ATOM 282 O VAL A 25 4.907 2.159 -5.626 1.00 0.40 O ATOM 283 CB VAL A 25 2.422 0.308 -4.511 1.00 0.57 C ATOM 284 CG1 VAL A 25 3.746 -0.298 -4.064 1.00 1.22 C ATOM 285 CG2 VAL A 25 1.410 0.275 -3.377 1.00 0.47 C ATOM 0 H VAL A 25 0.695 1.576 -5.826 1.00 0.35 H new ATOM 0 HA VAL A 25 2.839 2.391 -4.157 1.00 0.42 H new ATOM 0 HB VAL A 25 2.036 -0.290 -5.337 1.00 0.57 H new ATOM 0 HG11 VAL A 25 3.580 -1.317 -3.713 1.00 1.22 H new ATOM 0 HG12 VAL A 25 4.441 -0.312 -4.903 1.00 1.22 H new ATOM 0 HG13 VAL A 25 4.165 0.300 -3.255 1.00 1.22 H new ATOM 0 HG21 VAL A 25 1.281 -0.752 -3.034 1.00 0.47 H new ATOM 0 HG22 VAL A 25 1.768 0.891 -2.552 1.00 0.47 H new ATOM 0 HG23 VAL A 25 0.454 0.662 -3.731 1.00 0.47 H new ATOM 295 N GLN A 26 3.525 1.402 -7.235 1.00 0.43 N ATOM 296 CA GLN A 26 4.554 1.396 -8.267 1.00 0.49 C ATOM 297 C GLN A 26 4.995 2.823 -8.589 1.00 0.46 C ATOM 298 O GLN A 26 6.072 3.045 -9.141 1.00 0.54 O ATOM 299 CB GLN A 26 4.033 0.710 -9.532 1.00 0.55 C ATOM 300 CG GLN A 26 5.079 0.572 -10.627 1.00 0.67 C ATOM 301 CD GLN A 26 4.539 -0.118 -11.864 1.00 0.91 C ATOM 302 OE1 GLN A 26 4.604 -1.342 -11.986 1.00 1.33 O ATOM 303 NE2 GLN A 26 4.004 0.666 -12.792 1.00 1.65 N ATOM 0 H GLN A 26 2.607 1.089 -7.552 1.00 0.43 H new ATOM 0 HA GLN A 26 5.414 0.840 -7.893 1.00 0.49 H new ATOM 0 HB2 GLN A 26 3.661 -0.280 -9.270 1.00 0.55 H new ATOM 0 HB3 GLN A 26 3.186 1.277 -9.920 1.00 0.55 H new ATOM 0 HG2 GLN A 26 5.448 1.561 -10.899 1.00 0.67 H new ATOM 0 HG3 GLN A 26 5.930 0.009 -10.243 1.00 0.67 H new ATOM 0 HE21 GLN A 26 3.971 1.675 -12.650 1.00 1.65 H new ATOM 0 HE22 GLN A 26 3.626 0.259 -13.647 1.00 1.65 H new ATOM 312 N ALA A 27 4.145 3.785 -8.246 1.00 0.39 N ATOM 313 CA ALA A 27 4.438 5.193 -8.491 1.00 0.42 C ATOM 314 C ALA A 27 5.213 5.827 -7.334 1.00 0.38 C ATOM 315 O ALA A 27 6.073 6.680 -7.549 1.00 0.42 O ATOM 316 CB ALA A 27 3.148 5.958 -8.740 1.00 0.44 C ATOM 0 H ALA A 27 3.245 3.615 -7.796 1.00 0.39 H new ATOM 0 HA ALA A 27 5.071 5.248 -9.377 1.00 0.42 H new ATOM 0 HB1 ALA A 27 3.377 7.008 -8.922 1.00 0.44 H new ATOM 0 HB2 ALA A 27 2.640 5.541 -9.610 1.00 0.44 H new ATOM 0 HB3 ALA A 27 2.501 5.874 -7.867 1.00 0.44 H new ATOM 322 N VAL A 28 4.899 5.412 -6.107 1.00 0.31 N ATOM 323 CA VAL A 28 5.552 5.962 -4.920 1.00 0.29 C ATOM 324 C VAL A 28 6.860 5.249 -4.580 1.00 0.29 C ATOM 325 O VAL A 28 7.683 5.782 -3.838 1.00 0.29 O ATOM 326 CB VAL A 28 4.625 5.903 -3.691 1.00 0.29 C ATOM 327 CG1 VAL A 28 3.371 6.730 -3.928 1.00 0.33 C ATOM 328 CG2 VAL A 28 4.268 4.463 -3.356 1.00 0.31 C ATOM 0 H VAL A 28 4.198 4.698 -5.909 1.00 0.31 H new ATOM 0 HA VAL A 28 5.778 7.000 -5.165 1.00 0.29 H new ATOM 0 HB VAL A 28 5.157 6.327 -2.839 1.00 0.29 H new ATOM 0 HG11 VAL A 28 2.728 6.676 -3.049 1.00 0.33 H new ATOM 0 HG12 VAL A 28 3.649 7.768 -4.111 1.00 0.33 H new ATOM 0 HG13 VAL A 28 2.836 6.339 -4.793 1.00 0.33 H new ATOM 0 HG21 VAL A 28 3.613 4.444 -2.485 1.00 0.31 H new ATOM 0 HG22 VAL A 28 3.757 4.008 -4.205 1.00 0.31 H new ATOM 0 HG23 VAL A 28 5.178 3.904 -3.138 1.00 0.31 H new ATOM 338 N GLU A 29 7.053 4.049 -5.115 1.00 0.34 N ATOM 339 CA GLU A 29 8.267 3.280 -4.835 1.00 0.41 C ATOM 340 C GLU A 29 9.534 4.045 -5.227 1.00 0.43 C ATOM 341 O GLU A 29 10.642 3.628 -4.890 1.00 0.48 O ATOM 342 CB GLU A 29 8.231 1.932 -5.556 1.00 0.50 C ATOM 343 CG GLU A 29 7.804 2.026 -7.009 1.00 0.53 C ATOM 344 CD GLU A 29 8.162 0.786 -7.805 1.00 0.66 C ATOM 345 OE1 GLU A 29 7.392 -0.196 -7.752 1.00 0.70 O ATOM 346 OE2 GLU A 29 9.214 0.796 -8.476 1.00 0.73 O ATOM 0 H GLU A 29 6.392 3.588 -5.740 1.00 0.34 H new ATOM 0 HA GLU A 29 8.297 3.112 -3.758 1.00 0.41 H new ATOM 0 HB2 GLU A 29 9.220 1.477 -5.506 1.00 0.50 H new ATOM 0 HB3 GLU A 29 7.548 1.266 -5.028 1.00 0.50 H new ATOM 0 HG2 GLU A 29 6.727 2.185 -7.057 1.00 0.53 H new ATOM 0 HG3 GLU A 29 8.276 2.895 -7.467 1.00 0.53 H new ATOM 353 N LYS A 30 9.371 5.159 -5.937 1.00 0.41 N ATOM 354 CA LYS A 30 10.517 5.959 -6.366 1.00 0.46 C ATOM 355 C LYS A 30 10.725 7.182 -5.471 1.00 0.41 C ATOM 356 O LYS A 30 11.842 7.452 -5.032 1.00 0.42 O ATOM 357 CB LYS A 30 10.341 6.401 -7.821 1.00 0.55 C ATOM 358 CG LYS A 30 9.028 7.118 -8.084 1.00 0.52 C ATOM 359 CD LYS A 30 8.968 7.671 -9.498 1.00 0.62 C ATOM 360 CE LYS A 30 7.657 8.396 -9.758 1.00 1.57 C ATOM 361 NZ LYS A 30 7.590 8.944 -11.141 1.00 1.78 N ATOM 0 H LYS A 30 8.464 5.527 -6.226 1.00 0.41 H new ATOM 0 HA LYS A 30 11.403 5.330 -6.282 1.00 0.46 H new ATOM 0 HB2 LYS A 30 11.166 7.059 -8.094 1.00 0.55 H new ATOM 0 HB3 LYS A 30 10.403 5.526 -8.468 1.00 0.55 H new ATOM 0 HG2 LYS A 30 8.198 6.429 -7.926 1.00 0.52 H new ATOM 0 HG3 LYS A 30 8.907 7.932 -7.369 1.00 0.52 H new ATOM 0 HD2 LYS A 30 9.801 8.355 -9.658 1.00 0.62 H new ATOM 0 HD3 LYS A 30 9.083 6.857 -10.213 1.00 0.62 H new ATOM 0 HE2 LYS A 30 6.825 7.710 -9.599 1.00 1.57 H new ATOM 0 HE3 LYS A 30 7.543 9.208 -9.040 1.00 1.57 H new ATOM 0 HZ1 LYS A 30 6.681 9.431 -11.278 1.00 1.78 H new ATOM 0 HZ2 LYS A 30 8.369 9.618 -11.285 1.00 1.78 H new ATOM 0 HZ3 LYS A 30 7.673 8.167 -11.827 1.00 1.78 H new ATOM 375 N LEU A 31 9.648 7.919 -5.204 1.00 0.40 N ATOM 376 CA LEU A 31 9.731 9.119 -4.371 1.00 0.40 C ATOM 377 C LEU A 31 8.875 8.988 -3.115 1.00 0.32 C ATOM 378 O LEU A 31 8.341 9.977 -2.610 1.00 0.39 O ATOM 379 CB LEU A 31 9.307 10.352 -5.177 1.00 0.53 C ATOM 380 CG LEU A 31 8.052 10.177 -6.041 1.00 0.63 C ATOM 381 CD1 LEU A 31 6.795 10.202 -5.184 1.00 0.83 C ATOM 382 CD2 LEU A 31 7.991 11.256 -7.110 1.00 0.99 C ATOM 0 H LEU A 31 8.712 7.708 -5.550 1.00 0.40 H new ATOM 0 HA LEU A 31 10.768 9.237 -4.056 1.00 0.40 H new ATOM 0 HB2 LEU A 31 9.138 11.177 -4.484 1.00 0.53 H new ATOM 0 HB3 LEU A 31 10.134 10.644 -5.824 1.00 0.53 H new ATOM 0 HG LEU A 31 8.107 9.205 -6.531 1.00 0.63 H new ATOM 0 HD11 LEU A 31 5.919 10.076 -5.820 1.00 0.83 H new ATOM 0 HD12 LEU A 31 6.835 9.392 -4.456 1.00 0.83 H new ATOM 0 HD13 LEU A 31 6.730 11.156 -4.661 1.00 0.83 H new ATOM 0 HD21 LEU A 31 7.095 11.118 -7.715 1.00 0.99 H new ATOM 0 HD22 LEU A 31 7.962 12.237 -6.636 1.00 0.99 H new ATOM 0 HD23 LEU A 31 8.873 11.187 -7.747 1.00 0.99 H new ATOM 394 N GLY A 32 8.760 7.767 -2.605 1.00 0.26 N ATOM 395 CA GLY A 32 7.964 7.531 -1.414 1.00 0.31 C ATOM 396 C GLY A 32 8.601 8.097 -0.162 1.00 0.29 C ATOM 397 O GLY A 32 9.679 8.692 -0.218 1.00 0.30 O ATOM 0 H GLY A 32 9.204 6.936 -2.995 1.00 0.26 H new ATOM 0 HA2 GLY A 32 6.978 7.976 -1.547 1.00 0.31 H new ATOM 0 HA3 GLY A 32 7.816 6.459 -1.288 1.00 0.31 H new ATOM 401 N THR A 33 7.934 7.911 0.973 1.00 0.33 N ATOM 402 CA THR A 33 8.434 8.404 2.251 1.00 0.39 C ATOM 403 C THR A 33 7.947 7.526 3.399 1.00 0.44 C ATOM 404 O THR A 33 8.682 7.274 4.354 1.00 0.53 O ATOM 405 CB THR A 33 7.994 9.858 2.504 1.00 0.45 C ATOM 406 OG1 THR A 33 8.407 10.693 1.415 1.00 1.09 O ATOM 407 CG2 THR A 33 8.583 10.386 3.803 1.00 1.39 C ATOM 0 H THR A 33 7.042 7.420 1.033 1.00 0.33 H new ATOM 0 HA THR A 33 9.522 8.369 2.204 1.00 0.39 H new ATOM 0 HB THR A 33 6.907 9.874 2.583 1.00 0.45 H new ATOM 0 HG1 THR A 33 9.228 10.332 1.019 1.00 1.09 H new ATOM 0 HG21 THR A 33 8.257 11.415 3.959 1.00 1.39 H new ATOM 0 HG22 THR A 33 8.243 9.768 4.634 1.00 1.39 H new ATOM 0 HG23 THR A 33 9.671 10.354 3.748 1.00 1.39 H new ATOM 415 N GLY A 34 6.704 7.065 3.296 1.00 0.42 N ATOM 416 CA GLY A 34 6.138 6.220 4.330 1.00 0.48 C ATOM 417 C GLY A 34 4.688 5.864 4.059 1.00 0.43 C ATOM 418 O GLY A 34 3.918 5.634 4.993 1.00 0.47 O ATOM 0 H GLY A 34 6.079 7.262 2.514 1.00 0.42 H new ATOM 0 HA2 GLY A 34 6.725 5.305 4.409 1.00 0.48 H new ATOM 0 HA3 GLY A 34 6.210 6.729 5.291 1.00 0.48 H new ATOM 422 N ARG A 35 4.321 5.823 2.776 1.00 0.40 N ATOM 423 CA ARG A 35 2.956 5.493 2.361 1.00 0.43 C ATOM 424 C ARG A 35 1.922 6.220 3.213 1.00 0.36 C ATOM 425 O ARG A 35 0.809 5.733 3.401 1.00 0.41 O ATOM 426 CB ARG A 35 2.702 3.975 2.401 1.00 0.58 C ATOM 427 CG ARG A 35 3.898 3.136 2.831 1.00 0.75 C ATOM 428 CD ARG A 35 3.760 2.654 4.267 1.00 1.29 C ATOM 429 NE ARG A 35 4.893 1.829 4.676 1.00 2.40 N ATOM 430 CZ ARG A 35 5.314 1.724 5.934 1.00 3.34 C ATOM 431 NH1 ARG A 35 4.705 2.397 6.900 1.00 3.42 N ATOM 432 NH2 ARG A 35 6.350 0.948 6.224 1.00 4.45 N ATOM 0 H ARG A 35 4.956 6.016 2.001 1.00 0.40 H new ATOM 0 HA ARG A 35 2.850 5.830 1.330 1.00 0.43 H new ATOM 0 HB2 ARG A 35 1.874 3.778 3.082 1.00 0.58 H new ATOM 0 HB3 ARG A 35 2.385 3.648 1.411 1.00 0.58 H new ATOM 0 HG2 ARG A 35 3.998 2.277 2.167 1.00 0.75 H new ATOM 0 HG3 ARG A 35 4.810 3.724 2.731 1.00 0.75 H new ATOM 0 HD2 ARG A 35 3.678 3.514 4.932 1.00 1.29 H new ATOM 0 HD3 ARG A 35 2.838 2.082 4.371 1.00 1.29 H new ATOM 0 HE ARG A 35 5.390 1.303 3.957 1.00 2.40 H new ATOM 0 HH11 ARG A 35 3.911 2.998 6.680 1.00 3.42 H new ATOM 0 HH12 ARG A 35 5.031 2.314 7.863 1.00 3.42 H new ATOM 0 HH21 ARG A 35 6.824 0.432 5.483 1.00 4.45 H new ATOM 0 HH22 ARG A 35 6.673 0.867 7.188 1.00 4.45 H new ATOM 446 N TRP A 36 2.294 7.391 3.719 1.00 0.34 N ATOM 447 CA TRP A 36 1.391 8.185 4.541 1.00 0.41 C ATOM 448 C TRP A 36 0.192 8.638 3.718 1.00 0.43 C ATOM 449 O TRP A 36 -0.958 8.482 4.130 1.00 0.46 O ATOM 450 CB TRP A 36 2.117 9.405 5.112 1.00 0.53 C ATOM 451 CG TRP A 36 3.401 9.066 5.807 1.00 0.82 C ATOM 452 CD1 TRP A 36 4.662 9.178 5.295 1.00 0.66 C ATOM 453 CD2 TRP A 36 3.551 8.561 7.139 1.00 1.81 C ATOM 454 NE1 TRP A 36 5.587 8.773 6.227 1.00 1.43 N ATOM 455 CE2 TRP A 36 4.929 8.391 7.368 1.00 2.20 C ATOM 456 CE3 TRP A 36 2.653 8.238 8.161 1.00 2.46 C ATOM 457 CZ2 TRP A 36 5.430 7.911 8.575 1.00 3.23 C ATOM 458 CZ3 TRP A 36 3.152 7.762 9.358 1.00 3.49 C ATOM 459 CH2 TRP A 36 4.528 7.602 9.557 1.00 3.87 C ATOM 0 H TRP A 36 3.213 7.810 3.574 1.00 0.34 H new ATOM 0 HA TRP A 36 1.044 7.564 5.367 1.00 0.41 H new ATOM 0 HB2 TRP A 36 2.325 10.106 4.303 1.00 0.53 H new ATOM 0 HB3 TRP A 36 1.457 9.915 5.814 1.00 0.53 H new ATOM 0 HD1 TRP A 36 4.898 9.533 4.303 1.00 0.66 H new ATOM 0 HE1 TRP A 36 6.598 8.759 6.092 1.00 1.43 H new ATOM 0 HE3 TRP A 36 1.589 8.358 8.017 1.00 2.46 H new ATOM 0 HZ2 TRP A 36 6.491 7.787 8.731 1.00 3.23 H new ATOM 0 HZ3 TRP A 36 2.468 7.509 10.155 1.00 3.49 H new ATOM 0 HH2 TRP A 36 4.885 7.227 10.505 1.00 3.87 H new ATOM 470 N ARG A 37 0.475 9.188 2.541 1.00 0.47 N ATOM 471 CA ARG A 37 -0.575 9.670 1.651 1.00 0.58 C ATOM 472 C ARG A 37 -1.323 8.504 1.019 1.00 0.56 C ATOM 473 O ARG A 37 -2.495 8.627 0.654 1.00 0.64 O ATOM 474 CB ARG A 37 0.014 10.569 0.561 1.00 0.71 C ATOM 475 CG ARG A 37 1.129 9.916 -0.239 1.00 0.74 C ATOM 476 CD ARG A 37 2.500 10.372 0.236 1.00 1.05 C ATOM 477 NE ARG A 37 2.665 11.819 0.119 1.00 1.93 N ATOM 478 CZ ARG A 37 3.593 12.512 0.772 1.00 2.42 C ATOM 479 NH1 ARG A 37 4.436 11.894 1.590 1.00 2.16 N ATOM 480 NH2 ARG A 37 3.678 13.825 0.609 1.00 3.51 N ATOM 0 H ARG A 37 1.422 9.311 2.182 1.00 0.47 H new ATOM 0 HA ARG A 37 -1.279 10.254 2.244 1.00 0.58 H new ATOM 0 HB2 ARG A 37 -0.783 10.867 -0.121 1.00 0.71 H new ATOM 0 HB3 ARG A 37 0.396 11.480 1.022 1.00 0.71 H new ATOM 0 HG2 ARG A 37 1.055 8.832 -0.150 1.00 0.74 H new ATOM 0 HG3 ARG A 37 1.010 10.158 -1.295 1.00 0.74 H new ATOM 0 HD2 ARG A 37 2.642 10.073 1.275 1.00 1.05 H new ATOM 0 HD3 ARG A 37 3.272 9.870 -0.348 1.00 1.05 H new ATOM 0 HE ARG A 37 2.032 12.327 -0.499 1.00 1.93 H new ATOM 0 HH11 ARG A 37 4.373 10.884 1.719 1.00 2.16 H new ATOM 0 HH12 ARG A 37 5.147 12.429 2.089 1.00 2.16 H new ATOM 0 HH21 ARG A 37 3.031 14.304 -0.018 1.00 3.51 H new ATOM 0 HH22 ARG A 37 4.390 14.356 1.110 1.00 3.51 H new ATOM 494 N ASP A 38 -0.642 7.369 0.899 1.00 0.52 N ATOM 495 CA ASP A 38 -1.244 6.179 0.311 1.00 0.61 C ATOM 496 C ASP A 38 -2.330 5.634 1.223 1.00 0.58 C ATOM 497 O ASP A 38 -3.481 5.493 0.815 1.00 0.69 O ATOM 498 CB ASP A 38 -0.177 5.110 0.061 1.00 0.66 C ATOM 499 CG ASP A 38 -0.753 3.846 -0.543 1.00 1.34 C ATOM 500 OD1 ASP A 38 -1.340 3.041 0.211 1.00 2.19 O ATOM 501 OD2 ASP A 38 -0.612 3.656 -1.770 1.00 1.36 O ATOM 0 H ASP A 38 0.325 7.249 1.201 1.00 0.52 H new ATOM 0 HA ASP A 38 -1.693 6.452 -0.644 1.00 0.61 H new ATOM 0 HB2 ASP A 38 0.586 5.512 -0.605 1.00 0.66 H new ATOM 0 HB3 ASP A 38 0.317 4.867 1.002 1.00 0.66 H new ATOM 506 N VAL A 39 -1.956 5.328 2.458 1.00 0.50 N ATOM 507 CA VAL A 39 -2.903 4.811 3.434 1.00 0.55 C ATOM 508 C VAL A 39 -4.007 5.826 3.693 1.00 0.52 C ATOM 509 O VAL A 39 -5.127 5.466 4.057 1.00 0.58 O ATOM 510 CB VAL A 39 -2.204 4.471 4.764 1.00 0.61 C ATOM 511 CG1 VAL A 39 -1.123 3.424 4.544 1.00 1.61 C ATOM 512 CG2 VAL A 39 -1.622 5.725 5.399 1.00 1.33 C ATOM 0 H VAL A 39 -1.003 5.429 2.807 1.00 0.50 H new ATOM 0 HA VAL A 39 -3.334 3.899 3.021 1.00 0.55 H new ATOM 0 HB VAL A 39 -2.945 4.058 5.448 1.00 0.61 H new ATOM 0 HG11 VAL A 39 -0.639 3.195 5.494 1.00 1.61 H new ATOM 0 HG12 VAL A 39 -1.572 2.517 4.138 1.00 1.61 H new ATOM 0 HG13 VAL A 39 -0.382 3.808 3.843 1.00 1.61 H new ATOM 0 HG21 VAL A 39 -1.133 5.464 6.337 1.00 1.33 H new ATOM 0 HG22 VAL A 39 -0.894 6.171 4.722 1.00 1.33 H new ATOM 0 HG23 VAL A 39 -2.422 6.439 5.593 1.00 1.33 H new ATOM 522 N LYS A 40 -3.678 7.101 3.501 1.00 0.48 N ATOM 523 CA LYS A 40 -4.635 8.181 3.705 1.00 0.55 C ATOM 524 C LYS A 40 -5.790 8.094 2.714 1.00 0.62 C ATOM 525 O LYS A 40 -6.957 8.119 3.108 1.00 0.65 O ATOM 526 CB LYS A 40 -3.941 9.538 3.567 1.00 0.63 C ATOM 527 CG LYS A 40 -3.382 10.080 4.875 1.00 0.70 C ATOM 528 CD LYS A 40 -4.489 10.537 5.813 1.00 1.42 C ATOM 529 CE LYS A 40 -5.211 11.763 5.274 1.00 1.63 C ATOM 530 NZ LYS A 40 -6.290 12.220 6.192 1.00 2.16 N ATOM 0 H LYS A 40 -2.753 7.410 3.204 1.00 0.48 H new ATOM 0 HA LYS A 40 -5.038 8.080 4.713 1.00 0.55 H new ATOM 0 HB2 LYS A 40 -3.129 9.448 2.846 1.00 0.63 H new ATOM 0 HB3 LYS A 40 -4.651 10.258 3.160 1.00 0.63 H new ATOM 0 HG2 LYS A 40 -2.786 9.309 5.363 1.00 0.70 H new ATOM 0 HG3 LYS A 40 -2.713 10.915 4.667 1.00 0.70 H new ATOM 0 HD2 LYS A 40 -5.204 9.726 5.955 1.00 1.42 H new ATOM 0 HD3 LYS A 40 -4.066 10.764 6.792 1.00 1.42 H new ATOM 0 HE2 LYS A 40 -4.494 12.571 5.126 1.00 1.63 H new ATOM 0 HE3 LYS A 40 -5.638 11.533 4.298 1.00 1.63 H new ATOM 0 HZ1 LYS A 40 -6.757 13.057 5.789 1.00 2.16 H new ATOM 0 HZ2 LYS A 40 -6.988 11.459 6.314 1.00 2.16 H new ATOM 0 HZ3 LYS A 40 -5.880 12.464 7.116 1.00 2.16 H new ATOM 544 N LEU A 41 -5.464 7.992 1.426 1.00 0.68 N ATOM 545 CA LEU A 41 -6.492 7.929 0.392 1.00 0.80 C ATOM 546 C LEU A 41 -6.520 6.574 -0.309 1.00 0.81 C ATOM 547 O LEU A 41 -6.965 6.476 -1.453 1.00 0.94 O ATOM 548 CB LEU A 41 -6.274 9.042 -0.636 1.00 0.94 C ATOM 549 CG LEU A 41 -6.309 10.464 -0.072 1.00 1.31 C ATOM 550 CD1 LEU A 41 -5.953 11.474 -1.153 1.00 1.94 C ATOM 551 CD2 LEU A 41 -7.679 10.774 0.515 1.00 1.76 C ATOM 0 H LEU A 41 -4.506 7.952 1.078 1.00 0.68 H new ATOM 0 HA LEU A 41 -7.455 8.066 0.883 1.00 0.80 H new ATOM 0 HB2 LEU A 41 -5.311 8.884 -1.121 1.00 0.94 H new ATOM 0 HB3 LEU A 41 -7.038 8.956 -1.409 1.00 0.94 H new ATOM 0 HG LEU A 41 -5.569 10.535 0.725 1.00 1.31 H new ATOM 0 HD11 LEU A 41 -5.983 12.480 -0.735 1.00 1.94 H new ATOM 0 HD12 LEU A 41 -4.951 11.267 -1.529 1.00 1.94 H new ATOM 0 HD13 LEU A 41 -6.670 11.400 -1.971 1.00 1.94 H new ATOM 0 HD21 LEU A 41 -7.684 11.790 0.911 1.00 1.76 H new ATOM 0 HD22 LEU A 41 -8.437 10.684 -0.263 1.00 1.76 H new ATOM 0 HD23 LEU A 41 -7.898 10.070 1.318 1.00 1.76 H new ATOM 563 N CYS A 42 -6.053 5.533 0.371 1.00 0.71 N ATOM 564 CA CYS A 42 -6.053 4.198 -0.216 1.00 0.77 C ATOM 565 C CYS A 42 -7.472 3.808 -0.604 1.00 0.83 C ATOM 566 O CYS A 42 -7.715 3.312 -1.705 1.00 0.98 O ATOM 567 CB CYS A 42 -5.477 3.177 0.769 1.00 0.70 C ATOM 568 SG CYS A 42 -6.339 3.111 2.358 1.00 1.02 S ATOM 0 H CYS A 42 -5.674 5.585 1.317 1.00 0.71 H new ATOM 0 HA CYS A 42 -5.426 4.207 -1.108 1.00 0.77 H new ATOM 0 HB2 CYS A 42 -5.508 2.189 0.310 1.00 0.70 H new ATOM 0 HB3 CYS A 42 -4.428 3.413 0.947 1.00 0.70 H new ATOM 0 HG CYS A 42 -5.896 4.057 3.132 1.00 1.02 H new ATOM 574 N ALA A 43 -8.401 4.057 0.315 1.00 0.74 N ATOM 575 CA ALA A 43 -9.815 3.755 0.109 1.00 0.80 C ATOM 576 C ALA A 43 -10.619 4.045 1.374 1.00 0.70 C ATOM 577 O ALA A 43 -11.664 3.435 1.603 1.00 0.69 O ATOM 578 CB ALA A 43 -9.995 2.295 -0.286 1.00 0.84 C ATOM 0 H ALA A 43 -8.195 4.474 1.223 1.00 0.74 H new ATOM 0 HA ALA A 43 -10.182 4.392 -0.696 1.00 0.80 H new ATOM 0 HB1 ALA A 43 -11.054 2.087 -0.436 1.00 0.84 H new ATOM 0 HB2 ALA A 43 -9.452 2.099 -1.211 1.00 0.84 H new ATOM 0 HB3 ALA A 43 -9.607 1.654 0.505 1.00 0.84 H new ATOM 584 N PHE A 44 -10.126 4.981 2.190 1.00 0.65 N ATOM 585 CA PHE A 44 -10.782 5.328 3.441 1.00 0.64 C ATOM 586 C PHE A 44 -10.680 4.127 4.355 1.00 0.54 C ATOM 587 O PHE A 44 -11.397 4.000 5.348 1.00 0.60 O ATOM 588 CB PHE A 44 -12.246 5.723 3.210 1.00 0.78 C ATOM 589 CG PHE A 44 -12.885 6.401 4.390 1.00 1.40 C ATOM 590 CD1 PHE A 44 -12.513 7.683 4.754 1.00 1.70 C ATOM 591 CD2 PHE A 44 -13.859 5.752 5.134 1.00 2.24 C ATOM 592 CE1 PHE A 44 -13.099 8.308 5.839 1.00 2.62 C ATOM 593 CE2 PHE A 44 -14.448 6.372 6.220 1.00 3.30 C ATOM 594 CZ PHE A 44 -14.066 7.656 6.571 1.00 3.45 C ATOM 0 H PHE A 44 -9.274 5.509 2.001 1.00 0.65 H new ATOM 0 HA PHE A 44 -10.296 6.192 3.894 1.00 0.64 H new ATOM 0 HB2 PHE A 44 -12.302 6.387 2.347 1.00 0.78 H new ATOM 0 HB3 PHE A 44 -12.819 4.829 2.962 1.00 0.78 H new ATOM 0 HD1 PHE A 44 -11.756 8.201 4.184 1.00 1.70 H new ATOM 0 HD2 PHE A 44 -14.161 4.751 4.862 1.00 2.24 H new ATOM 0 HE1 PHE A 44 -12.798 9.308 6.113 1.00 2.62 H new ATOM 0 HE2 PHE A 44 -15.204 5.856 6.793 1.00 3.30 H new ATOM 0 HZ PHE A 44 -14.526 8.145 7.417 1.00 3.45 H new ATOM 604 N GLU A 45 -9.754 3.247 3.991 1.00 0.49 N ATOM 605 CA GLU A 45 -9.521 2.019 4.724 1.00 0.51 C ATOM 606 C GLU A 45 -8.565 2.246 5.887 1.00 0.49 C ATOM 607 O GLU A 45 -8.879 1.929 7.035 1.00 0.54 O ATOM 608 CB GLU A 45 -8.955 0.957 3.781 1.00 0.63 C ATOM 609 CG GLU A 45 -8.867 -0.429 4.395 1.00 0.95 C ATOM 610 CD GLU A 45 -10.212 -0.942 4.873 1.00 1.32 C ATOM 611 OE1 GLU A 45 -10.925 -1.580 4.067 1.00 1.20 O ATOM 612 OE2 GLU A 45 -10.551 -0.709 6.052 1.00 2.10 O ATOM 0 H GLU A 45 -9.147 3.369 3.180 1.00 0.49 H new ATOM 0 HA GLU A 45 -10.472 1.676 5.132 1.00 0.51 H new ATOM 0 HB2 GLU A 45 -9.578 0.909 2.888 1.00 0.63 H new ATOM 0 HB3 GLU A 45 -7.960 1.265 3.459 1.00 0.63 H new ATOM 0 HG2 GLU A 45 -8.458 -1.123 3.660 1.00 0.95 H new ATOM 0 HG3 GLU A 45 -8.172 -0.407 5.234 1.00 0.95 H new ATOM 619 N ASP A 46 -7.395 2.797 5.582 1.00 0.48 N ATOM 620 CA ASP A 46 -6.390 3.068 6.603 1.00 0.48 C ATOM 621 C ASP A 46 -6.448 4.524 7.045 1.00 0.50 C ATOM 622 O ASP A 46 -5.509 5.036 7.654 1.00 0.59 O ATOM 623 CB ASP A 46 -4.993 2.737 6.079 1.00 0.56 C ATOM 624 CG ASP A 46 -4.851 1.276 5.694 1.00 0.72 C ATOM 625 OD1 ASP A 46 -4.469 0.469 6.566 1.00 0.83 O ATOM 626 OD2 ASP A 46 -5.121 0.941 4.521 1.00 0.80 O ATOM 0 H ASP A 46 -7.120 3.064 4.637 1.00 0.48 H new ATOM 0 HA ASP A 46 -6.604 2.435 7.464 1.00 0.48 H new ATOM 0 HB2 ASP A 46 -4.776 3.361 5.212 1.00 0.56 H new ATOM 0 HB3 ASP A 46 -4.254 2.982 6.842 1.00 0.56 H new ATOM 631 N ALA A 47 -7.559 5.186 6.735 1.00 0.50 N ATOM 632 CA ALA A 47 -7.744 6.585 7.104 1.00 0.64 C ATOM 633 C ALA A 47 -7.728 6.769 8.620 1.00 0.80 C ATOM 634 O ALA A 47 -7.761 7.896 9.115 1.00 0.98 O ATOM 635 CB ALA A 47 -9.045 7.116 6.520 1.00 0.65 C ATOM 0 H ALA A 47 -8.344 4.776 6.229 1.00 0.50 H new ATOM 0 HA ALA A 47 -6.911 7.154 6.691 1.00 0.64 H new ATOM 0 HB1 ALA A 47 -9.171 8.161 6.803 1.00 0.65 H new ATOM 0 HB2 ALA A 47 -9.016 7.035 5.433 1.00 0.65 H new ATOM 0 HB3 ALA A 47 -9.881 6.533 6.905 1.00 0.65 H new ATOM 641 N ASP A 48 -7.678 5.660 9.353 1.00 0.79 N ATOM 642 CA ASP A 48 -7.651 5.708 10.810 1.00 0.98 C ATOM 643 C ASP A 48 -6.216 5.637 11.322 1.00 1.06 C ATOM 644 O ASP A 48 -5.912 6.124 12.411 1.00 1.24 O ATOM 645 CB ASP A 48 -8.471 4.555 11.394 1.00 1.10 C ATOM 646 CG ASP A 48 -8.486 4.567 12.910 1.00 1.63 C ATOM 647 OD1 ASP A 48 -9.390 5.207 13.490 1.00 2.11 O ATOM 648 OD2 ASP A 48 -7.596 3.936 13.518 1.00 2.33 O ATOM 0 H ASP A 48 -7.655 4.718 8.961 1.00 0.79 H new ATOM 0 HA ASP A 48 -8.090 6.653 11.130 1.00 0.98 H new ATOM 0 HB2 ASP A 48 -9.494 4.616 11.023 1.00 1.10 H new ATOM 0 HB3 ASP A 48 -8.061 3.607 11.045 1.00 1.10 H new ATOM 653 N HIS A 49 -5.343 5.034 10.520 1.00 0.95 N ATOM 654 CA HIS A 49 -3.932 4.893 10.873 1.00 1.05 C ATOM 655 C HIS A 49 -3.764 4.200 12.223 1.00 0.56 C ATOM 656 O HIS A 49 -3.824 4.838 13.273 1.00 1.09 O ATOM 657 CB HIS A 49 -3.249 6.262 10.906 1.00 1.78 C ATOM 658 CG HIS A 49 -3.436 7.055 9.652 1.00 2.47 C ATOM 659 ND1 HIS A 49 -2.436 7.237 8.720 1.00 3.08 N ATOM 660 CD2 HIS A 49 -4.516 7.719 9.176 1.00 3.07 C ATOM 661 CE1 HIS A 49 -2.892 7.980 7.728 1.00 3.59 C ATOM 662 NE2 HIS A 49 -4.151 8.285 7.980 1.00 3.59 N ATOM 0 H HIS A 49 -5.589 4.632 9.615 1.00 0.95 H new ATOM 0 HA HIS A 49 -3.461 4.275 10.109 1.00 1.05 H new ATOM 0 HB2 HIS A 49 -3.639 6.833 11.749 1.00 1.78 H new ATOM 0 HB3 HIS A 49 -2.182 6.122 11.082 1.00 1.78 H new ATOM 0 HD1 HIS A 49 -1.492 6.857 8.786 1.00 3.08 H new ATOM 0 HD2 HIS A 49 -5.484 7.790 9.649 1.00 3.07 H new ATOM 0 HE1 HIS A 49 -2.330 8.286 6.858 1.00 3.59 H new ATOM 671 N ARG A 50 -3.555 2.887 12.186 1.00 0.62 N ATOM 672 CA ARG A 50 -3.372 2.109 13.408 1.00 1.10 C ATOM 673 C ARG A 50 -2.021 2.411 14.053 1.00 0.91 C ATOM 674 O ARG A 50 -1.931 3.229 14.969 1.00 0.91 O ATOM 675 CB ARG A 50 -3.492 0.613 13.110 1.00 1.88 C ATOM 676 CG ARG A 50 -4.881 0.188 12.660 1.00 2.55 C ATOM 677 CD ARG A 50 -5.905 0.353 13.772 1.00 3.23 C ATOM 678 NE ARG A 50 -7.238 -0.071 13.356 1.00 3.79 N ATOM 679 CZ ARG A 50 -8.277 -0.159 14.183 1.00 4.66 C ATOM 680 NH1 ARG A 50 -8.134 0.147 15.467 1.00 5.03 N ATOM 681 NH2 ARG A 50 -9.458 -0.552 13.728 1.00 5.44 N ATOM 0 H ARG A 50 -3.508 2.341 11.326 1.00 0.62 H new ATOM 0 HA ARG A 50 -4.156 2.394 14.110 1.00 1.10 H new ATOM 0 HB2 ARG A 50 -2.772 0.347 12.336 1.00 1.88 H new ATOM 0 HB3 ARG A 50 -3.222 0.051 14.004 1.00 1.88 H new ATOM 0 HG2 ARG A 50 -5.182 0.782 11.797 1.00 2.55 H new ATOM 0 HG3 ARG A 50 -4.857 -0.853 12.338 1.00 2.55 H new ATOM 0 HD2 ARG A 50 -5.594 -0.228 14.640 1.00 3.23 H new ATOM 0 HD3 ARG A 50 -5.937 1.397 14.083 1.00 3.23 H new ATOM 0 HE ARG A 50 -7.382 -0.314 12.376 1.00 3.79 H new ATOM 0 HH11 ARG A 50 -7.227 0.450 15.821 1.00 5.03 H new ATOM 0 HH12 ARG A 50 -8.931 0.079 16.099 1.00 5.03 H new ATOM 0 HH21 ARG A 50 -9.572 -0.788 12.742 1.00 5.44 H new ATOM 0 HH22 ARG A 50 -10.253 -0.619 14.364 1.00 5.44 H new ATOM 695 N THR A 51 -0.972 1.747 13.570 1.00 0.81 N ATOM 696 CA THR A 51 0.373 1.945 14.100 1.00 0.67 C ATOM 697 C THR A 51 1.416 1.779 13.001 1.00 0.59 C ATOM 698 O THR A 51 1.076 1.519 11.850 1.00 0.59 O ATOM 699 CB THR A 51 0.692 0.957 15.240 1.00 0.73 C ATOM 700 OG1 THR A 51 0.547 -0.390 14.776 1.00 1.01 O ATOM 701 CG2 THR A 51 -0.221 1.187 16.434 1.00 0.75 C ATOM 0 H THR A 51 -1.029 1.067 12.812 1.00 0.81 H new ATOM 0 HA THR A 51 0.408 2.960 14.495 1.00 0.67 H new ATOM 0 HB THR A 51 1.722 1.125 15.555 1.00 0.73 H new ATOM 0 HG1 THR A 51 -0.054 -0.880 15.376 1.00 1.01 H new ATOM 0 HG21 THR A 51 0.026 0.477 17.223 1.00 0.75 H new ATOM 0 HG22 THR A 51 -0.086 2.203 16.805 1.00 0.75 H new ATOM 0 HG23 THR A 51 -1.259 1.047 16.131 1.00 0.75 H new ATOM 709 N TYR A 52 2.684 1.937 13.359 1.00 0.55 N ATOM 710 CA TYR A 52 3.771 1.806 12.394 1.00 0.52 C ATOM 711 C TYR A 52 3.817 0.409 11.765 1.00 0.43 C ATOM 712 O TYR A 52 3.933 0.280 10.544 1.00 0.42 O ATOM 713 CB TYR A 52 5.121 2.169 13.036 1.00 0.56 C ATOM 714 CG TYR A 52 5.639 1.200 14.087 1.00 0.52 C ATOM 715 CD1 TYR A 52 4.849 0.777 15.153 1.00 0.49 C ATOM 716 CD2 TYR A 52 6.947 0.731 14.020 1.00 0.55 C ATOM 717 CE1 TYR A 52 5.346 -0.084 16.114 1.00 0.49 C ATOM 718 CE2 TYR A 52 7.448 -0.133 14.977 1.00 0.55 C ATOM 719 CZ TYR A 52 6.645 -0.536 16.021 1.00 0.52 C ATOM 720 OH TYR A 52 7.141 -1.392 16.976 1.00 0.57 O ATOM 0 H TYR A 52 2.986 2.156 14.308 1.00 0.55 H new ATOM 0 HA TYR A 52 3.575 2.513 11.588 1.00 0.52 H new ATOM 0 HB2 TYR A 52 5.867 2.250 12.245 1.00 0.56 H new ATOM 0 HB3 TYR A 52 5.031 3.155 13.492 1.00 0.56 H new ATOM 0 HD1 TYR A 52 3.830 1.128 15.230 1.00 0.49 H new ATOM 0 HD2 TYR A 52 7.583 1.047 13.206 1.00 0.55 H new ATOM 0 HE1 TYR A 52 4.719 -0.401 16.934 1.00 0.49 H new ATOM 0 HE2 TYR A 52 8.465 -0.490 14.906 1.00 0.55 H new ATOM 0 HH TYR A 52 8.071 -1.616 16.763 1.00 0.57 H new ATOM 730 N VAL A 53 3.708 -0.634 12.587 1.00 0.39 N ATOM 731 CA VAL A 53 3.745 -2.004 12.076 1.00 0.35 C ATOM 732 C VAL A 53 2.397 -2.417 11.491 1.00 0.37 C ATOM 733 O VAL A 53 2.345 -3.083 10.459 1.00 0.38 O ATOM 734 CB VAL A 53 4.156 -3.015 13.165 1.00 0.38 C ATOM 735 CG1 VAL A 53 4.111 -4.437 12.622 1.00 0.38 C ATOM 736 CG2 VAL A 53 5.544 -2.691 13.688 1.00 0.40 C ATOM 0 H VAL A 53 3.595 -0.559 13.598 1.00 0.39 H new ATOM 0 HA VAL A 53 4.498 -2.016 11.288 1.00 0.35 H new ATOM 0 HB VAL A 53 3.447 -2.941 13.989 1.00 0.38 H new ATOM 0 HG11 VAL A 53 4.404 -5.135 13.406 1.00 0.38 H new ATOM 0 HG12 VAL A 53 3.099 -4.668 12.291 1.00 0.38 H new ATOM 0 HG13 VAL A 53 4.798 -4.527 11.780 1.00 0.38 H new ATOM 0 HG21 VAL A 53 5.821 -3.413 14.456 1.00 0.40 H new ATOM 0 HG22 VAL A 53 6.262 -2.739 12.869 1.00 0.40 H new ATOM 0 HG23 VAL A 53 5.547 -1.688 14.115 1.00 0.40 H new ATOM 746 N ASP A 54 1.311 -2.030 12.150 1.00 0.42 N ATOM 747 CA ASP A 54 -0.025 -2.369 11.666 1.00 0.49 C ATOM 748 C ASP A 54 -0.268 -1.748 10.295 1.00 0.49 C ATOM 749 O ASP A 54 -0.809 -2.393 9.392 1.00 0.53 O ATOM 750 CB ASP A 54 -1.092 -1.898 12.656 1.00 0.57 C ATOM 751 CG ASP A 54 -1.196 -2.806 13.868 1.00 0.60 C ATOM 752 OD1 ASP A 54 -0.220 -2.877 14.644 1.00 0.62 O ATOM 753 OD2 ASP A 54 -2.255 -3.446 14.040 1.00 0.65 O ATOM 0 H ASP A 54 1.326 -1.486 13.013 1.00 0.42 H new ATOM 0 HA ASP A 54 -0.091 -3.453 11.575 1.00 0.49 H new ATOM 0 HB2 ASP A 54 -0.859 -0.885 12.983 1.00 0.57 H new ATOM 0 HB3 ASP A 54 -2.058 -1.856 12.153 1.00 0.57 H new ATOM 758 N LEU A 55 0.139 -0.493 10.146 1.00 0.51 N ATOM 759 CA LEU A 55 -0.020 0.219 8.884 1.00 0.57 C ATOM 760 C LEU A 55 0.841 -0.427 7.806 1.00 0.47 C ATOM 761 O LEU A 55 0.355 -0.756 6.723 1.00 0.47 O ATOM 762 CB LEU A 55 0.352 1.697 9.061 1.00 0.67 C ATOM 763 CG LEU A 55 0.226 2.570 7.808 1.00 0.83 C ATOM 764 CD1 LEU A 55 -0.071 4.009 8.197 1.00 1.34 C ATOM 765 CD2 LEU A 55 1.496 2.507 6.971 1.00 1.81 C ATOM 0 H LEU A 55 0.582 0.053 10.885 1.00 0.51 H new ATOM 0 HA LEU A 55 -1.063 0.161 8.573 1.00 0.57 H new ATOM 0 HB2 LEU A 55 -0.280 2.121 9.841 1.00 0.67 H new ATOM 0 HB3 LEU A 55 1.380 1.753 9.418 1.00 0.67 H new ATOM 0 HG LEU A 55 -0.599 2.186 7.208 1.00 0.83 H new ATOM 0 HD11 LEU A 55 -0.158 4.618 7.298 1.00 1.34 H new ATOM 0 HD12 LEU A 55 -1.007 4.049 8.755 1.00 1.34 H new ATOM 0 HD13 LEU A 55 0.738 4.392 8.818 1.00 1.34 H new ATOM 0 HD21 LEU A 55 1.381 3.135 6.088 1.00 1.81 H new ATOM 0 HD22 LEU A 55 2.339 2.863 7.562 1.00 1.81 H new ATOM 0 HD23 LEU A 55 1.678 1.477 6.663 1.00 1.81 H new ATOM 777 N LYS A 56 2.125 -0.613 8.109 1.00 0.44 N ATOM 778 CA LYS A 56 3.038 -1.231 7.158 1.00 0.41 C ATOM 779 C LYS A 56 2.609 -2.666 6.883 1.00 0.35 C ATOM 780 O LYS A 56 2.987 -3.253 5.871 1.00 0.34 O ATOM 781 CB LYS A 56 4.479 -1.191 7.676 1.00 0.48 C ATOM 782 CG LYS A 56 4.810 -2.295 8.667 1.00 0.82 C ATOM 783 CD LYS A 56 5.423 -3.502 7.978 1.00 1.29 C ATOM 784 CE LYS A 56 5.904 -4.534 8.985 1.00 2.17 C ATOM 785 NZ LYS A 56 6.965 -3.988 9.876 1.00 2.86 N ATOM 0 H LYS A 56 2.550 -0.347 8.997 1.00 0.44 H new ATOM 0 HA LYS A 56 3.001 -0.666 6.227 1.00 0.41 H new ATOM 0 HB2 LYS A 56 5.161 -1.261 6.829 1.00 0.48 H new ATOM 0 HB3 LYS A 56 4.657 -0.226 8.150 1.00 0.48 H new ATOM 0 HG2 LYS A 56 5.502 -1.914 9.418 1.00 0.82 H new ATOM 0 HG3 LYS A 56 3.904 -2.597 9.192 1.00 0.82 H new ATOM 0 HD2 LYS A 56 4.687 -3.956 7.314 1.00 1.29 H new ATOM 0 HD3 LYS A 56 6.259 -3.182 7.356 1.00 1.29 H new ATOM 0 HE2 LYS A 56 5.062 -4.872 9.589 1.00 2.17 H new ATOM 0 HE3 LYS A 56 6.288 -5.406 8.456 1.00 2.17 H new ATOM 0 HZ1 LYS A 56 7.486 -4.773 10.316 1.00 2.86 H new ATOM 0 HZ2 LYS A 56 7.622 -3.406 9.318 1.00 2.86 H new ATOM 0 HZ3 LYS A 56 6.529 -3.403 10.617 1.00 2.86 H new ATOM 799 N ASP A 57 1.828 -3.231 7.803 1.00 0.37 N ATOM 800 CA ASP A 57 1.331 -4.590 7.651 1.00 0.39 C ATOM 801 C ASP A 57 0.338 -4.642 6.504 1.00 0.39 C ATOM 802 O ASP A 57 0.444 -5.481 5.609 1.00 0.38 O ATOM 803 CB ASP A 57 0.659 -5.067 8.940 1.00 0.49 C ATOM 804 CG ASP A 57 0.313 -6.544 8.898 1.00 1.13 C ATOM 805 OD1 ASP A 57 1.161 -7.364 9.303 1.00 1.08 O ATOM 806 OD2 ASP A 57 -0.807 -6.878 8.459 1.00 2.04 O ATOM 0 H ASP A 57 1.528 -2.766 8.660 1.00 0.37 H new ATOM 0 HA ASP A 57 2.173 -5.248 7.437 1.00 0.39 H new ATOM 0 HB2 ASP A 57 1.321 -4.875 9.784 1.00 0.49 H new ATOM 0 HB3 ASP A 57 -0.249 -4.488 9.109 1.00 0.49 H new ATOM 811 N LYS A 58 -0.633 -3.734 6.543 1.00 0.43 N ATOM 812 CA LYS A 58 -1.639 -3.651 5.495 1.00 0.46 C ATOM 813 C LYS A 58 -0.969 -3.342 4.164 1.00 0.41 C ATOM 814 O LYS A 58 -1.489 -3.670 3.098 1.00 0.41 O ATOM 815 CB LYS A 58 -2.672 -2.573 5.831 1.00 0.55 C ATOM 816 CG LYS A 58 -3.435 -2.835 7.121 1.00 1.26 C ATOM 817 CD LYS A 58 -4.293 -4.086 7.020 1.00 1.54 C ATOM 818 CE LYS A 58 -5.055 -4.343 8.310 1.00 1.87 C ATOM 819 NZ LYS A 58 -5.900 -5.568 8.221 1.00 2.38 N ATOM 0 H LYS A 58 -0.742 -3.047 7.289 1.00 0.43 H new ATOM 0 HA LYS A 58 -2.153 -4.609 5.422 1.00 0.46 H new ATOM 0 HB2 LYS A 58 -2.167 -1.610 5.908 1.00 0.55 H new ATOM 0 HB3 LYS A 58 -3.383 -2.495 5.009 1.00 0.55 H new ATOM 0 HG2 LYS A 58 -2.730 -2.942 7.946 1.00 1.26 H new ATOM 0 HG3 LYS A 58 -4.067 -1.977 7.351 1.00 1.26 H new ATOM 0 HD2 LYS A 58 -4.997 -3.980 6.195 1.00 1.54 H new ATOM 0 HD3 LYS A 58 -3.661 -4.945 6.792 1.00 1.54 H new ATOM 0 HE2 LYS A 58 -4.349 -4.448 9.134 1.00 1.87 H new ATOM 0 HE3 LYS A 58 -5.685 -3.483 8.537 1.00 1.87 H new ATOM 0 HZ1 LYS A 58 -6.403 -5.709 9.120 1.00 2.38 H new ATOM 0 HZ2 LYS A 58 -6.591 -5.458 7.451 1.00 2.38 H new ATOM 0 HZ3 LYS A 58 -5.296 -6.393 8.030 1.00 2.38 H new ATOM 833 N TRP A 59 0.195 -2.704 4.243 1.00 0.38 N ATOM 834 CA TRP A 59 0.969 -2.351 3.060 1.00 0.35 C ATOM 835 C TRP A 59 1.687 -3.587 2.517 1.00 0.28 C ATOM 836 O TRP A 59 1.656 -3.863 1.317 1.00 0.28 O ATOM 837 CB TRP A 59 1.968 -1.243 3.420 1.00 0.37 C ATOM 838 CG TRP A 59 3.210 -1.222 2.582 1.00 0.36 C ATOM 839 CD1 TRP A 59 4.350 -1.939 2.798 1.00 0.32 C ATOM 840 CD2 TRP A 59 3.447 -0.432 1.411 1.00 0.43 C ATOM 841 NE1 TRP A 59 5.283 -1.644 1.833 1.00 0.37 N ATOM 842 CE2 TRP A 59 4.751 -0.724 0.968 1.00 0.43 C ATOM 843 CE3 TRP A 59 2.682 0.490 0.693 1.00 0.50 C ATOM 844 CZ2 TRP A 59 5.306 -0.122 -0.159 1.00 0.51 C ATOM 845 CZ3 TRP A 59 3.233 1.085 -0.426 1.00 0.57 C ATOM 846 CH2 TRP A 59 4.534 0.776 -0.841 1.00 0.57 C ATOM 0 H TRP A 59 0.625 -2.419 5.123 1.00 0.38 H new ATOM 0 HA TRP A 59 0.304 -1.980 2.280 1.00 0.35 H new ATOM 0 HB2 TRP A 59 1.468 -0.279 3.329 1.00 0.37 H new ATOM 0 HB3 TRP A 59 2.254 -1.356 4.466 1.00 0.37 H new ATOM 0 HD1 TRP A 59 4.498 -2.637 3.609 1.00 0.32 H new ATOM 0 HE1 TRP A 59 6.219 -2.045 1.771 1.00 0.37 H new ATOM 0 HE3 TRP A 59 1.678 0.734 1.007 1.00 0.50 H new ATOM 0 HZ2 TRP A 59 6.310 -0.356 -0.482 1.00 0.51 H new ATOM 0 HZ3 TRP A 59 2.651 1.799 -0.989 1.00 0.57 H new ATOM 0 HH2 TRP A 59 4.936 1.258 -1.720 1.00 0.57 H new ATOM 857 N LYS A 60 2.335 -4.318 3.416 1.00 0.25 N ATOM 858 CA LYS A 60 3.049 -5.539 3.055 1.00 0.21 C ATOM 859 C LYS A 60 2.100 -6.542 2.413 1.00 0.21 C ATOM 860 O LYS A 60 2.487 -7.306 1.529 1.00 0.25 O ATOM 861 CB LYS A 60 3.686 -6.161 4.299 1.00 0.23 C ATOM 862 CG LYS A 60 4.371 -7.494 4.033 1.00 0.36 C ATOM 863 CD LYS A 60 4.466 -8.338 5.293 1.00 0.85 C ATOM 864 CE LYS A 60 3.172 -9.092 5.565 1.00 0.62 C ATOM 865 NZ LYS A 60 2.043 -8.176 5.886 1.00 1.06 N ATOM 0 H LYS A 60 2.381 -4.085 4.408 1.00 0.25 H new ATOM 0 HA LYS A 60 3.829 -5.282 2.339 1.00 0.21 H new ATOM 0 HB2 LYS A 60 4.415 -5.463 4.711 1.00 0.23 H new ATOM 0 HB3 LYS A 60 2.917 -6.303 5.058 1.00 0.23 H new ATOM 0 HG2 LYS A 60 3.818 -8.041 3.269 1.00 0.36 H new ATOM 0 HG3 LYS A 60 5.371 -7.317 3.637 1.00 0.36 H new ATOM 0 HD2 LYS A 60 5.287 -9.048 5.194 1.00 0.85 H new ATOM 0 HD3 LYS A 60 4.699 -7.697 6.143 1.00 0.85 H new ATOM 0 HE2 LYS A 60 2.913 -9.693 4.693 1.00 0.62 H new ATOM 0 HE3 LYS A 60 3.324 -9.783 6.394 1.00 0.62 H new ATOM 0 HZ1 LYS A 60 1.298 -8.704 6.383 1.00 1.06 H new ATOM 0 HZ2 LYS A 60 2.384 -7.404 6.494 1.00 1.06 H new ATOM 0 HZ3 LYS A 60 1.657 -7.779 5.006 1.00 1.06 H new ATOM 879 N THR A 61 0.853 -6.534 2.871 1.00 0.22 N ATOM 880 CA THR A 61 -0.163 -7.440 2.346 1.00 0.27 C ATOM 881 C THR A 61 -0.752 -6.867 1.069 1.00 0.28 C ATOM 882 O THR A 61 -1.234 -7.596 0.203 1.00 0.35 O ATOM 883 CB THR A 61 -1.292 -7.678 3.369 1.00 0.34 C ATOM 884 OG1 THR A 61 -0.740 -8.134 4.609 1.00 0.97 O ATOM 885 CG2 THR A 61 -2.288 -8.703 2.848 1.00 0.80 C ATOM 0 H THR A 61 0.521 -5.909 3.606 1.00 0.22 H new ATOM 0 HA THR A 61 0.317 -8.396 2.139 1.00 0.27 H new ATOM 0 HB THR A 61 -1.814 -6.734 3.527 1.00 0.34 H new ATOM 0 HG1 THR A 61 -0.322 -7.381 5.077 1.00 0.97 H new ATOM 0 HG21 THR A 61 -3.075 -8.854 3.587 1.00 0.80 H new ATOM 0 HG22 THR A 61 -2.728 -8.343 1.918 1.00 0.80 H new ATOM 0 HG23 THR A 61 -1.776 -9.648 2.665 1.00 0.80 H new ATOM 893 N LEU A 62 -0.701 -5.548 0.970 1.00 0.28 N ATOM 894 CA LEU A 62 -1.203 -4.840 -0.193 1.00 0.36 C ATOM 895 C LEU A 62 -0.401 -5.235 -1.429 1.00 0.35 C ATOM 896 O LEU A 62 -0.944 -5.332 -2.530 1.00 0.42 O ATOM 897 CB LEU A 62 -1.121 -3.332 0.067 1.00 0.43 C ATOM 898 CG LEU A 62 -0.834 -2.451 -1.147 1.00 0.61 C ATOM 899 CD1 LEU A 62 -2.058 -2.355 -2.042 1.00 1.00 C ATOM 900 CD2 LEU A 62 -0.388 -1.075 -0.683 1.00 1.27 C ATOM 0 H LEU A 62 -0.312 -4.942 1.692 1.00 0.28 H new ATOM 0 HA LEU A 62 -2.244 -5.107 -0.374 1.00 0.36 H new ATOM 0 HB2 LEU A 62 -2.064 -3.009 0.509 1.00 0.43 H new ATOM 0 HB3 LEU A 62 -0.343 -3.155 0.810 1.00 0.43 H new ATOM 0 HG LEU A 62 -0.032 -2.900 -1.733 1.00 0.61 H new ATOM 0 HD11 LEU A 62 -1.832 -1.723 -2.901 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.335 -3.351 -2.387 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.886 -1.922 -1.481 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -0.183 -0.447 -1.550 1.00 1.27 H new ATOM 0 HD22 LEU A 62 -1.176 -0.620 -0.083 1.00 1.27 H new ATOM 0 HD23 LEU A 62 0.516 -1.169 -0.082 1.00 1.27 H new ATOM 912 N VAL A 63 0.896 -5.465 -1.234 1.00 0.30 N ATOM 913 CA VAL A 63 1.772 -5.873 -2.323 1.00 0.33 C ATOM 914 C VAL A 63 1.795 -7.396 -2.445 1.00 0.38 C ATOM 915 O VAL A 63 1.743 -7.941 -3.546 1.00 0.47 O ATOM 916 CB VAL A 63 3.211 -5.350 -2.128 1.00 0.34 C ATOM 917 CG1 VAL A 63 3.248 -3.837 -2.267 1.00 0.40 C ATOM 918 CG2 VAL A 63 3.764 -5.778 -0.778 1.00 0.28 C ATOM 0 H VAL A 63 1.361 -5.375 -0.331 1.00 0.30 H new ATOM 0 HA VAL A 63 1.373 -5.438 -3.239 1.00 0.33 H new ATOM 0 HB VAL A 63 3.841 -5.784 -2.904 1.00 0.34 H new ATOM 0 HG11 VAL A 63 4.270 -3.484 -2.127 1.00 0.40 H new ATOM 0 HG12 VAL A 63 2.899 -3.554 -3.260 1.00 0.40 H new ATOM 0 HG13 VAL A 63 2.602 -3.387 -1.514 1.00 0.40 H new ATOM 0 HG21 VAL A 63 4.779 -5.398 -0.663 1.00 0.28 H new ATOM 0 HG22 VAL A 63 3.135 -5.377 0.017 1.00 0.28 H new ATOM 0 HG23 VAL A 63 3.775 -6.866 -0.718 1.00 0.28 H new ATOM 928 N HIS A 64 1.876 -8.072 -1.299 1.00 0.34 N ATOM 929 CA HIS A 64 1.887 -9.531 -1.260 1.00 0.43 C ATOM 930 C HIS A 64 0.693 -10.106 -2.020 1.00 0.48 C ATOM 931 O HIS A 64 0.799 -11.149 -2.666 1.00 0.54 O ATOM 932 CB HIS A 64 1.869 -10.002 0.201 1.00 0.52 C ATOM 933 CG HIS A 64 1.319 -11.383 0.402 1.00 0.53 C ATOM 934 ND1 HIS A 64 2.103 -12.518 0.378 1.00 1.06 N ATOM 935 CD2 HIS A 64 0.057 -11.806 0.655 1.00 1.05 C ATOM 936 CE1 HIS A 64 1.346 -13.577 0.607 1.00 1.24 C ATOM 937 NE2 HIS A 64 0.103 -13.173 0.779 1.00 1.13 N ATOM 0 H HIS A 64 1.935 -7.628 -0.382 1.00 0.34 H new ATOM 0 HA HIS A 64 2.795 -9.890 -1.745 1.00 0.43 H new ATOM 0 HB2 HIS A 64 2.886 -9.969 0.593 1.00 0.52 H new ATOM 0 HB3 HIS A 64 1.278 -9.300 0.789 1.00 0.52 H new ATOM 0 HD2 HIS A 64 -0.822 -11.184 0.743 1.00 1.05 H new ATOM 0 HE1 HIS A 64 1.688 -14.601 0.647 1.00 1.24 H new ATOM 0 HE2 HIS A 64 -0.695 -13.778 0.973 1.00 1.13 H new ATOM 946 N THR A 65 -0.440 -9.416 -1.937 1.00 0.47 N ATOM 947 CA THR A 65 -1.658 -9.856 -2.609 1.00 0.54 C ATOM 948 C THR A 65 -1.738 -9.308 -4.034 1.00 0.57 C ATOM 949 O THR A 65 -2.504 -9.810 -4.857 1.00 0.65 O ATOM 950 CB THR A 65 -2.913 -9.417 -1.829 1.00 0.56 C ATOM 951 OG1 THR A 65 -2.790 -9.799 -0.453 1.00 0.99 O ATOM 952 CG2 THR A 65 -4.169 -10.043 -2.416 1.00 1.18 C ATOM 0 H THR A 65 -0.540 -8.548 -1.410 1.00 0.47 H new ATOM 0 HA THR A 65 -1.622 -10.945 -2.649 1.00 0.54 H new ATOM 0 HB THR A 65 -2.997 -8.333 -1.906 1.00 0.56 H new ATOM 0 HG1 THR A 65 -2.221 -9.154 0.016 1.00 0.99 H new ATOM 0 HG21 THR A 65 -5.039 -9.716 -1.846 1.00 1.18 H new ATOM 0 HG22 THR A 65 -4.278 -9.733 -3.455 1.00 1.18 H new ATOM 0 HG23 THR A 65 -4.091 -11.129 -2.368 1.00 1.18 H new ATOM 960 N ALA A 66 -0.942 -8.280 -4.318 1.00 0.55 N ATOM 961 CA ALA A 66 -0.928 -7.663 -5.640 1.00 0.62 C ATOM 962 C ALA A 66 -0.729 -8.700 -6.742 1.00 0.72 C ATOM 963 O ALA A 66 -1.676 -9.065 -7.439 1.00 0.84 O ATOM 964 CB ALA A 66 0.154 -6.596 -5.717 1.00 0.58 C ATOM 0 H ALA A 66 -0.298 -7.857 -3.649 1.00 0.55 H new ATOM 0 HA ALA A 66 -1.900 -7.194 -5.796 1.00 0.62 H new ATOM 0 HB1 ALA A 66 0.151 -6.146 -6.710 1.00 0.58 H new ATOM 0 HB2 ALA A 66 -0.039 -5.827 -4.969 1.00 0.58 H new ATOM 0 HB3 ALA A 66 1.127 -7.050 -5.528 1.00 0.58 H new ATOM 970 N LYS A 67 0.504 -9.174 -6.896 1.00 0.71 N ATOM 971 CA LYS A 67 0.817 -10.167 -7.918 1.00 0.82 C ATOM 972 C LYS A 67 2.131 -10.879 -7.604 1.00 0.83 C ATOM 973 O LYS A 67 2.766 -11.456 -8.487 1.00 0.94 O ATOM 974 CB LYS A 67 0.892 -9.498 -9.294 1.00 0.90 C ATOM 975 CG LYS A 67 0.808 -10.475 -10.458 1.00 1.48 C ATOM 976 CD LYS A 67 0.903 -9.763 -11.799 1.00 1.86 C ATOM 977 CE LYS A 67 -0.431 -9.158 -12.215 1.00 2.84 C ATOM 978 NZ LYS A 67 -0.848 -8.043 -11.321 1.00 3.29 N ATOM 0 H LYS A 67 1.301 -8.887 -6.327 1.00 0.71 H new ATOM 0 HA LYS A 67 0.022 -10.912 -7.927 1.00 0.82 H new ATOM 0 HB2 LYS A 67 0.082 -8.774 -9.380 1.00 0.90 H new ATOM 0 HB3 LYS A 67 1.826 -8.941 -9.366 1.00 0.90 H new ATOM 0 HG2 LYS A 67 1.611 -11.207 -10.377 1.00 1.48 H new ATOM 0 HG3 LYS A 67 -0.131 -11.025 -10.404 1.00 1.48 H new ATOM 0 HD2 LYS A 67 1.656 -8.977 -11.740 1.00 1.86 H new ATOM 0 HD3 LYS A 67 1.236 -10.467 -12.561 1.00 1.86 H new ATOM 0 HE2 LYS A 67 -0.358 -8.792 -13.239 1.00 2.84 H new ATOM 0 HE3 LYS A 67 -1.197 -9.933 -12.207 1.00 2.84 H new ATOM 0 HZ1 LYS A 67 -1.403 -7.351 -11.864 1.00 3.29 H new ATOM 0 HZ2 LYS A 67 -1.429 -8.419 -10.545 1.00 3.29 H new ATOM 0 HZ3 LYS A 67 -0.004 -7.579 -10.928 1.00 3.29 H new ATOM 992 N ILE A 68 2.531 -10.838 -6.336 1.00 0.74 N ATOM 993 CA ILE A 68 3.766 -11.479 -5.902 1.00 0.78 C ATOM 994 C ILE A 68 3.744 -12.975 -6.208 1.00 0.91 C ATOM 995 O ILE A 68 4.793 -13.596 -6.392 1.00 1.01 O ATOM 996 CB ILE A 68 4.003 -11.265 -4.390 1.00 0.70 C ATOM 997 CG1 ILE A 68 4.145 -9.772 -4.079 1.00 0.63 C ATOM 998 CG2 ILE A 68 5.232 -12.032 -3.920 1.00 0.81 C ATOM 999 CD1 ILE A 68 5.331 -9.114 -4.757 1.00 0.77 C ATOM 0 H ILE A 68 2.017 -10.367 -5.592 1.00 0.74 H new ATOM 0 HA ILE A 68 4.583 -11.016 -6.456 1.00 0.78 H new ATOM 0 HB ILE A 68 3.139 -11.650 -3.849 1.00 0.70 H new ATOM 0 HG12 ILE A 68 3.233 -9.259 -4.385 1.00 0.63 H new ATOM 0 HG13 ILE A 68 4.237 -9.643 -3.001 1.00 0.63 H new ATOM 0 HG21 ILE A 68 5.378 -11.866 -2.853 1.00 0.81 H new ATOM 0 HG22 ILE A 68 5.089 -13.097 -4.105 1.00 0.81 H new ATOM 0 HG23 ILE A 68 6.109 -11.683 -4.465 1.00 0.81 H new ATOM 0 HD11 ILE A 68 5.364 -8.058 -4.488 1.00 0.77 H new ATOM 0 HD12 ILE A 68 6.251 -9.600 -4.433 1.00 0.77 H new ATOM 0 HD13 ILE A 68 5.231 -9.210 -5.838 1.00 0.77 H new ATOM 1011 N SER A 69 2.544 -13.545 -6.270 1.00 0.95 N ATOM 1012 CA SER A 69 2.381 -14.969 -6.553 1.00 1.13 C ATOM 1013 C SER A 69 3.167 -15.817 -5.553 1.00 1.19 C ATOM 1014 O SER A 69 4.208 -16.381 -5.888 1.00 1.28 O ATOM 1015 CB SER A 69 2.835 -15.285 -7.981 1.00 1.22 C ATOM 1016 OG SER A 69 2.070 -14.564 -8.932 1.00 1.82 O ATOM 0 H SER A 69 1.668 -13.042 -6.128 1.00 0.95 H new ATOM 0 HA SER A 69 1.323 -15.214 -6.456 1.00 1.13 H new ATOM 0 HB2 SER A 69 3.890 -15.035 -8.094 1.00 1.22 H new ATOM 0 HB3 SER A 69 2.739 -16.355 -8.168 1.00 1.22 H new ATOM 0 HG SER A 69 2.235 -13.604 -8.824 1.00 1.82 H new ATOM 1022 N PRO A 70 2.678 -15.911 -4.302 1.00 1.22 N ATOM 1023 CA PRO A 70 3.331 -16.688 -3.247 1.00 1.33 C ATOM 1024 C PRO A 70 3.080 -18.185 -3.391 1.00 1.56 C ATOM 1025 O PRO A 70 4.004 -18.958 -3.646 1.00 1.61 O ATOM 1026 CB PRO A 70 2.688 -16.166 -1.951 1.00 1.38 C ATOM 1027 CG PRO A 70 1.779 -15.048 -2.357 1.00 1.30 C ATOM 1028 CD PRO A 70 1.460 -15.263 -3.806 1.00 1.22 C ATOM 0 HA PRO A 70 4.414 -16.570 -3.276 1.00 1.33 H new ATOM 0 HB2 PRO A 70 2.132 -16.956 -1.447 1.00 1.38 H new ATOM 0 HB3 PRO A 70 3.448 -15.816 -1.253 1.00 1.38 H new ATOM 0 HG2 PRO A 70 0.870 -15.049 -1.755 1.00 1.30 H new ATOM 0 HG3 PRO A 70 2.260 -14.082 -2.205 1.00 1.30 H new ATOM 0 HD2 PRO A 70 0.581 -15.893 -3.940 1.00 1.22 H new ATOM 0 HD3 PRO A 70 1.260 -14.324 -4.322 1.00 1.22 H new ATOM 1036 N GLN A 71 1.822 -18.587 -3.227 1.00 1.88 N ATOM 1037 CA GLN A 71 1.447 -19.993 -3.335 1.00 2.17 C ATOM 1038 C GLN A 71 1.194 -20.382 -4.787 1.00 2.50 C ATOM 1039 O GLN A 71 0.920 -21.544 -5.089 1.00 2.87 O ATOM 1040 CB GLN A 71 0.197 -20.272 -2.495 1.00 2.61 C ATOM 1041 CG GLN A 71 0.377 -19.963 -1.018 1.00 3.25 C ATOM 1042 CD GLN A 71 -0.879 -20.229 -0.211 1.00 4.05 C ATOM 1043 OE1 GLN A 71 -1.085 -21.332 0.295 1.00 4.66 O ATOM 1044 NE2 GLN A 71 -1.727 -19.215 -0.085 1.00 4.42 N ATOM 0 H GLN A 71 1.046 -17.959 -3.019 1.00 1.88 H new ATOM 0 HA GLN A 71 2.275 -20.594 -2.958 1.00 2.17 H new ATOM 0 HB2 GLN A 71 -0.632 -19.680 -2.883 1.00 2.61 H new ATOM 0 HB3 GLN A 71 -0.080 -21.320 -2.608 1.00 2.61 H new ATOM 0 HG2 GLN A 71 1.194 -20.565 -0.621 1.00 3.25 H new ATOM 0 HG3 GLN A 71 0.665 -18.918 -0.901 1.00 3.25 H new ATOM 0 HE21 GLN A 71 -1.517 -18.317 -0.521 1.00 4.42 H new ATOM 0 HE22 GLN A 71 -2.589 -19.334 0.448 1.00 4.42 H new ATOM 1053 N GLN A 72 1.290 -19.405 -5.682 1.00 2.53 N ATOM 1054 CA GLN A 72 1.074 -19.648 -7.105 1.00 3.06 C ATOM 1055 C GLN A 72 2.324 -20.236 -7.750 1.00 2.62 C ATOM 1056 O GLN A 72 2.363 -20.461 -8.960 1.00 3.04 O ATOM 1057 CB GLN A 72 0.682 -18.350 -7.812 1.00 3.90 C ATOM 1058 CG GLN A 72 -0.589 -17.718 -7.265 1.00 4.67 C ATOM 1059 CD GLN A 72 -1.798 -18.622 -7.409 1.00 5.70 C ATOM 1060 OE1 GLN A 72 -2.501 -18.583 -8.419 1.00 6.14 O ATOM 1061 NE2 GLN A 72 -2.048 -19.441 -6.394 1.00 6.40 N ATOM 0 H GLN A 72 1.516 -18.438 -5.448 1.00 2.53 H new ATOM 0 HA GLN A 72 0.261 -20.367 -7.207 1.00 3.06 H new ATOM 0 HB2 GLN A 72 1.501 -17.636 -7.722 1.00 3.90 H new ATOM 0 HB3 GLN A 72 0.549 -18.551 -8.875 1.00 3.90 H new ATOM 0 HG2 GLN A 72 -0.445 -17.474 -6.212 1.00 4.67 H new ATOM 0 HG3 GLN A 72 -0.777 -16.780 -7.787 1.00 4.67 H new ATOM 0 HE21 GLN A 72 -1.439 -19.440 -5.576 1.00 6.40 H new ATOM 0 HE22 GLN A 72 -2.849 -20.071 -6.432 1.00 6.40 H new ATOM 1070 N ARG A 73 3.345 -20.482 -6.934 1.00 2.20 N ATOM 1071 CA ARG A 73 4.598 -21.045 -7.421 1.00 2.48 C ATOM 1072 C ARG A 73 5.006 -22.260 -6.595 1.00 2.98 C ATOM 1073 O ARG A 73 4.365 -22.585 -5.594 1.00 3.45 O ATOM 1074 CB ARG A 73 5.706 -19.990 -7.378 1.00 2.85 C ATOM 1075 CG ARG A 73 5.393 -18.744 -8.189 1.00 3.57 C ATOM 1076 CD ARG A 73 6.507 -17.716 -8.084 1.00 4.27 C ATOM 1077 NE ARG A 73 6.207 -16.503 -8.840 1.00 4.94 N ATOM 1078 CZ ARG A 73 6.978 -15.420 -8.835 1.00 5.76 C ATOM 1079 NH1 ARG A 73 8.095 -15.399 -8.119 1.00 6.03 N ATOM 1080 NH2 ARG A 73 6.636 -14.357 -9.550 1.00 6.51 N ATOM 0 H ARG A 73 3.328 -20.299 -5.931 1.00 2.20 H new ATOM 0 HA ARG A 73 4.448 -21.363 -8.453 1.00 2.48 H new ATOM 0 HB2 ARG A 73 5.883 -19.703 -6.341 1.00 2.85 H new ATOM 0 HB3 ARG A 73 6.631 -20.432 -7.749 1.00 2.85 H new ATOM 0 HG2 ARG A 73 5.245 -19.017 -9.234 1.00 3.57 H new ATOM 0 HG3 ARG A 73 4.458 -18.306 -7.839 1.00 3.57 H new ATOM 0 HD2 ARG A 73 6.666 -17.460 -7.037 1.00 4.27 H new ATOM 0 HD3 ARG A 73 7.437 -18.151 -8.451 1.00 4.27 H new ATOM 0 HE ARG A 73 5.357 -16.486 -9.404 1.00 4.94 H new ATOM 0 HH11 ARG A 73 8.364 -16.215 -7.570 1.00 6.03 H new ATOM 0 HH12 ARG A 73 8.684 -14.566 -8.117 1.00 6.03 H new ATOM 0 HH21 ARG A 73 5.780 -14.369 -10.105 1.00 6.51 H new ATOM 0 HH22 ARG A 73 7.229 -13.527 -9.545 1.00 6.51 H new ATOM 1094 N ARG A 74 6.074 -22.928 -7.020 1.00 3.43 N ATOM 1095 CA ARG A 74 6.567 -24.107 -6.317 1.00 4.19 C ATOM 1096 C ARG A 74 7.725 -23.746 -5.393 1.00 4.18 C ATOM 1097 O ARG A 74 8.365 -22.709 -5.562 1.00 4.70 O ATOM 1098 CB ARG A 74 7.011 -25.176 -7.318 1.00 4.87 C ATOM 1099 CG ARG A 74 8.098 -24.706 -8.270 1.00 5.72 C ATOM 1100 CD ARG A 74 8.522 -25.814 -9.220 1.00 6.35 C ATOM 1101 NE ARG A 74 7.408 -26.305 -10.025 1.00 6.75 N ATOM 1102 CZ ARG A 74 7.478 -27.373 -10.813 1.00 7.52 C ATOM 1103 NH1 ARG A 74 8.609 -28.062 -10.902 1.00 7.96 N ATOM 1104 NH2 ARG A 74 6.420 -27.753 -11.514 1.00 8.11 N ATOM 0 H ARG A 74 6.614 -22.673 -7.847 1.00 3.43 H new ATOM 0 HA ARG A 74 5.753 -24.504 -5.710 1.00 4.19 H new ATOM 0 HB2 ARG A 74 7.371 -26.047 -6.770 1.00 4.87 H new ATOM 0 HB3 ARG A 74 6.147 -25.499 -7.898 1.00 4.87 H new ATOM 0 HG2 ARG A 74 7.737 -23.852 -8.843 1.00 5.72 H new ATOM 0 HG3 ARG A 74 8.961 -24.365 -7.699 1.00 5.72 H new ATOM 0 HD2 ARG A 74 9.309 -25.445 -9.878 1.00 6.35 H new ATOM 0 HD3 ARG A 74 8.946 -26.639 -8.647 1.00 6.35 H new ATOM 0 HE ARG A 74 6.524 -25.799 -9.980 1.00 6.75 H new ATOM 0 HH11 ARG A 74 9.426 -27.772 -10.365 1.00 7.96 H new ATOM 0 HH12 ARG A 74 8.661 -28.881 -11.507 1.00 7.96 H new ATOM 0 HH21 ARG A 74 5.549 -27.226 -11.450 1.00 8.11 H new ATOM 0 HH22 ARG A 74 6.476 -28.573 -12.118 1.00 8.11 H new ATOM 1118 N GLY A 75 7.988 -24.609 -4.416 1.00 3.91 N ATOM 1119 CA GLY A 75 9.068 -24.362 -3.478 1.00 4.13 C ATOM 1120 C GLY A 75 8.790 -23.179 -2.572 1.00 3.81 C ATOM 1121 O GLY A 75 7.653 -22.720 -2.476 1.00 3.92 O ATOM 0 H GLY A 75 7.472 -25.475 -4.257 1.00 3.91 H new ATOM 0 HA2 GLY A 75 9.227 -25.252 -2.869 1.00 4.13 H new ATOM 0 HA3 GLY A 75 9.991 -24.184 -4.030 1.00 4.13 H new ATOM 1125 N GLU A 76 9.838 -22.689 -1.909 1.00 3.83 N ATOM 1126 CA GLU A 76 9.719 -21.550 -1.000 1.00 3.68 C ATOM 1127 C GLU A 76 8.818 -21.888 0.193 1.00 3.18 C ATOM 1128 O GLU A 76 7.642 -22.205 0.016 1.00 3.40 O ATOM 1129 CB GLU A 76 9.170 -20.327 -1.741 1.00 4.26 C ATOM 1130 CG GLU A 76 9.081 -19.079 -0.875 1.00 5.11 C ATOM 1131 CD GLU A 76 8.538 -17.883 -1.634 1.00 5.87 C ATOM 1132 OE1 GLU A 76 9.346 -17.140 -2.226 1.00 6.16 O ATOM 1133 OE2 GLU A 76 7.304 -17.692 -1.634 1.00 6.42 O ATOM 0 H GLU A 76 10.783 -23.066 -1.986 1.00 3.83 H new ATOM 0 HA GLU A 76 10.715 -21.318 -0.623 1.00 3.68 H new ATOM 0 HB2 GLU A 76 9.806 -20.118 -2.601 1.00 4.26 H new ATOM 0 HB3 GLU A 76 8.178 -20.562 -2.128 1.00 4.26 H new ATOM 0 HG2 GLU A 76 8.441 -19.281 -0.016 1.00 5.11 H new ATOM 0 HG3 GLU A 76 10.071 -18.839 -0.486 1.00 5.11 H new ATOM 1140 N PRO A 77 9.354 -21.821 1.429 1.00 2.73 N ATOM 1141 CA PRO A 77 8.583 -22.124 2.640 1.00 2.52 C ATOM 1142 C PRO A 77 7.550 -21.046 2.949 1.00 2.26 C ATOM 1143 O PRO A 77 6.354 -21.240 2.733 1.00 2.54 O ATOM 1144 CB PRO A 77 9.644 -22.177 3.752 1.00 2.48 C ATOM 1145 CG PRO A 77 10.965 -22.175 3.055 1.00 2.62 C ATOM 1146 CD PRO A 77 10.743 -21.465 1.752 1.00 2.76 C ATOM 0 HA PRO A 77 8.017 -23.049 2.534 1.00 2.52 H new ATOM 0 HB2 PRO A 77 9.553 -21.321 4.420 1.00 2.48 H new ATOM 0 HB3 PRO A 77 9.526 -23.072 4.363 1.00 2.48 H new ATOM 0 HG2 PRO A 77 11.721 -21.666 3.653 1.00 2.62 H new ATOM 0 HG3 PRO A 77 11.321 -23.192 2.890 1.00 2.62 H new ATOM 0 HD2 PRO A 77 10.874 -20.387 1.850 1.00 2.76 H new ATOM 0 HD3 PRO A 77 11.438 -21.802 0.983 1.00 2.76 H new ATOM 1154 N VAL A 78 8.021 -19.913 3.456 1.00 1.91 N ATOM 1155 CA VAL A 78 7.141 -18.800 3.795 1.00 1.72 C ATOM 1156 C VAL A 78 7.441 -17.576 2.931 1.00 1.48 C ATOM 1157 O VAL A 78 8.576 -17.387 2.491 1.00 1.45 O ATOM 1158 CB VAL A 78 7.273 -18.414 5.282 1.00 1.79 C ATOM 1159 CG1 VAL A 78 6.829 -19.562 6.175 1.00 2.36 C ATOM 1160 CG2 VAL A 78 8.702 -18.000 5.604 1.00 2.28 C ATOM 0 H VAL A 78 9.009 -19.740 3.642 1.00 1.91 H new ATOM 0 HA VAL A 78 6.121 -19.132 3.603 1.00 1.72 H new ATOM 0 HB VAL A 78 6.621 -17.562 5.474 1.00 1.79 H new ATOM 0 HG11 VAL A 78 6.930 -19.270 7.220 1.00 2.36 H new ATOM 0 HG12 VAL A 78 5.787 -19.805 5.965 1.00 2.36 H new ATOM 0 HG13 VAL A 78 7.451 -20.436 5.981 1.00 2.36 H new ATOM 0 HG21 VAL A 78 8.774 -17.731 6.658 1.00 2.28 H new ATOM 0 HG22 VAL A 78 9.377 -18.829 5.394 1.00 2.28 H new ATOM 0 HG23 VAL A 78 8.979 -17.142 4.991 1.00 2.28 H new ATOM 1170 N PRO A 79 6.427 -16.728 2.672 1.00 1.39 N ATOM 1171 CA PRO A 79 6.599 -15.524 1.854 1.00 1.22 C ATOM 1172 C PRO A 79 7.397 -14.442 2.577 1.00 1.05 C ATOM 1173 O PRO A 79 6.843 -13.651 3.340 1.00 1.01 O ATOM 1174 CB PRO A 79 5.164 -15.056 1.606 1.00 1.32 C ATOM 1175 CG PRO A 79 4.393 -15.572 2.770 1.00 1.49 C ATOM 1176 CD PRO A 79 5.037 -16.876 3.151 1.00 1.56 C ATOM 0 HA PRO A 79 7.158 -15.727 0.941 1.00 1.22 H new ATOM 0 HB2 PRO A 79 5.107 -13.969 1.543 1.00 1.32 H new ATOM 0 HB3 PRO A 79 4.775 -15.450 0.667 1.00 1.32 H new ATOM 0 HG2 PRO A 79 4.421 -14.866 3.600 1.00 1.49 H new ATOM 0 HG3 PRO A 79 3.344 -15.716 2.510 1.00 1.49 H new ATOM 0 HD2 PRO A 79 4.999 -17.043 4.228 1.00 1.56 H new ATOM 0 HD3 PRO A 79 4.538 -17.723 2.680 1.00 1.56 H new ATOM 1184 N GLN A 80 8.705 -14.422 2.336 1.00 1.07 N ATOM 1185 CA GLN A 80 9.586 -13.439 2.960 1.00 0.95 C ATOM 1186 C GLN A 80 9.822 -12.252 2.034 1.00 0.84 C ATOM 1187 O GLN A 80 10.115 -11.146 2.487 1.00 0.76 O ATOM 1188 CB GLN A 80 10.923 -14.085 3.324 1.00 1.04 C ATOM 1189 CG GLN A 80 10.826 -15.094 4.456 1.00 1.88 C ATOM 1190 CD GLN A 80 12.166 -15.713 4.800 1.00 2.50 C ATOM 1191 OE1 GLN A 80 12.899 -15.202 5.647 1.00 2.79 O ATOM 1192 NE2 GLN A 80 12.493 -16.819 4.144 1.00 3.30 N ATOM 0 H GLN A 80 9.179 -15.076 1.713 1.00 1.07 H new ATOM 0 HA GLN A 80 9.101 -13.078 3.867 1.00 0.95 H new ATOM 0 HB2 GLN A 80 11.329 -14.580 2.442 1.00 1.04 H new ATOM 0 HB3 GLN A 80 11.629 -13.304 3.605 1.00 1.04 H new ATOM 0 HG2 GLN A 80 10.418 -14.605 5.340 1.00 1.88 H new ATOM 0 HG3 GLN A 80 10.127 -15.882 4.177 1.00 1.88 H new ATOM 0 HE21 GLN A 80 11.855 -17.208 3.450 1.00 3.30 H new ATOM 0 HE22 GLN A 80 13.383 -17.280 4.334 1.00 3.30 H new ATOM 1201 N GLU A 81 9.698 -12.499 0.735 1.00 0.91 N ATOM 1202 CA GLU A 81 9.895 -11.466 -0.279 1.00 0.90 C ATOM 1203 C GLU A 81 9.127 -10.192 0.060 1.00 0.76 C ATOM 1204 O GLU A 81 9.597 -9.087 -0.209 1.00 0.81 O ATOM 1205 CB GLU A 81 9.453 -11.983 -1.647 1.00 1.05 C ATOM 1206 CG GLU A 81 10.385 -13.031 -2.234 1.00 1.35 C ATOM 1207 CD GLU A 81 9.930 -13.520 -3.595 1.00 2.04 C ATOM 1208 OE1 GLU A 81 10.338 -12.916 -4.609 1.00 2.16 O ATOM 1209 OE2 GLU A 81 9.165 -14.505 -3.647 1.00 2.78 O ATOM 0 H GLU A 81 9.459 -13.415 0.355 1.00 0.91 H new ATOM 0 HA GLU A 81 10.958 -11.225 -0.303 1.00 0.90 H new ATOM 0 HB2 GLU A 81 8.453 -12.407 -1.560 1.00 1.05 H new ATOM 0 HB3 GLU A 81 9.384 -11.143 -2.338 1.00 1.05 H new ATOM 0 HG2 GLU A 81 11.388 -12.613 -2.319 1.00 1.35 H new ATOM 0 HG3 GLU A 81 10.450 -13.878 -1.551 1.00 1.35 H new ATOM 1216 N LEU A 82 7.947 -10.353 0.650 1.00 0.62 N ATOM 1217 CA LEU A 82 7.119 -9.223 1.019 1.00 0.53 C ATOM 1218 C LEU A 82 7.802 -8.386 2.097 1.00 0.43 C ATOM 1219 O LEU A 82 8.079 -7.206 1.894 1.00 0.46 O ATOM 1220 CB LEU A 82 5.751 -9.701 1.517 1.00 0.52 C ATOM 1221 CG LEU A 82 5.509 -11.214 1.511 1.00 0.68 C ATOM 1222 CD1 LEU A 82 4.280 -11.557 2.340 1.00 1.20 C ATOM 1223 CD2 LEU A 82 5.350 -11.726 0.086 1.00 1.25 C ATOM 0 H LEU A 82 7.546 -11.262 0.881 1.00 0.62 H new ATOM 0 HA LEU A 82 6.975 -8.603 0.134 1.00 0.53 H new ATOM 0 HB2 LEU A 82 5.613 -9.338 2.536 1.00 0.52 H new ATOM 0 HB3 LEU A 82 4.982 -9.231 0.904 1.00 0.52 H new ATOM 0 HG LEU A 82 6.376 -11.703 1.956 1.00 0.68 H new ATOM 0 HD11 LEU A 82 4.121 -12.635 2.326 1.00 1.20 H new ATOM 0 HD12 LEU A 82 4.430 -11.226 3.367 1.00 1.20 H new ATOM 0 HD13 LEU A 82 3.407 -11.056 1.921 1.00 1.20 H new ATOM 0 HD21 LEU A 82 5.179 -12.802 0.103 1.00 1.25 H new ATOM 0 HD22 LEU A 82 4.501 -11.231 -0.386 1.00 1.25 H new ATOM 0 HD23 LEU A 82 6.256 -11.512 -0.481 1.00 1.25 H new ATOM 1235 N LEU A 83 8.077 -9.009 3.238 1.00 0.43 N ATOM 1236 CA LEU A 83 8.732 -8.322 4.348 1.00 0.38 C ATOM 1237 C LEU A 83 10.032 -7.668 3.892 1.00 0.37 C ATOM 1238 O LEU A 83 10.386 -6.578 4.347 1.00 0.33 O ATOM 1239 CB LEU A 83 9.026 -9.307 5.483 1.00 0.43 C ATOM 1240 CG LEU A 83 7.807 -9.771 6.281 1.00 0.48 C ATOM 1241 CD1 LEU A 83 8.159 -10.979 7.137 1.00 0.57 C ATOM 1242 CD2 LEU A 83 7.281 -8.639 7.153 1.00 0.54 C ATOM 0 H LEU A 83 7.857 -9.988 3.419 1.00 0.43 H new ATOM 0 HA LEU A 83 8.057 -7.546 4.708 1.00 0.38 H new ATOM 0 HB2 LEU A 83 9.519 -10.184 5.062 1.00 0.43 H new ATOM 0 HB3 LEU A 83 9.734 -8.843 6.170 1.00 0.43 H new ATOM 0 HG LEU A 83 7.025 -10.061 5.579 1.00 0.48 H new ATOM 0 HD11 LEU A 83 7.280 -11.296 7.698 1.00 0.57 H new ATOM 0 HD12 LEU A 83 8.493 -11.794 6.496 1.00 0.57 H new ATOM 0 HD13 LEU A 83 8.956 -10.713 7.831 1.00 0.57 H new ATOM 0 HD21 LEU A 83 6.413 -8.985 7.715 1.00 0.54 H new ATOM 0 HD22 LEU A 83 8.060 -8.322 7.847 1.00 0.54 H new ATOM 0 HD23 LEU A 83 6.993 -7.798 6.523 1.00 0.54 H new ATOM 1254 N ASN A 84 10.732 -8.339 2.984 1.00 0.47 N ATOM 1255 CA ASN A 84 11.998 -7.835 2.469 1.00 0.53 C ATOM 1256 C ASN A 84 11.806 -6.537 1.691 1.00 0.47 C ATOM 1257 O ASN A 84 12.479 -5.543 1.958 1.00 0.45 O ATOM 1258 CB ASN A 84 12.655 -8.888 1.571 1.00 0.69 C ATOM 1259 CG ASN A 84 14.079 -8.524 1.189 1.00 0.75 C ATOM 1260 OD1 ASN A 84 14.426 -7.350 1.080 1.00 1.44 O ATOM 1261 ND2 ASN A 84 14.911 -9.538 0.981 1.00 1.15 N ATOM 0 H ASN A 84 10.443 -9.234 2.590 1.00 0.47 H new ATOM 0 HA ASN A 84 12.647 -7.626 3.320 1.00 0.53 H new ATOM 0 HB2 ASN A 84 12.655 -9.849 2.085 1.00 0.69 H new ATOM 0 HB3 ASN A 84 12.060 -9.010 0.666 1.00 0.69 H new ATOM 0 HD21 ASN A 84 15.880 -9.357 0.720 1.00 1.15 H new ATOM 0 HD22 ASN A 84 14.581 -10.498 1.083 1.00 1.15 H new ATOM 1268 N ARG A 85 10.879 -6.545 0.737 1.00 0.51 N ATOM 1269 CA ARG A 85 10.619 -5.364 -0.082 1.00 0.54 C ATOM 1270 C ARG A 85 9.980 -4.244 0.734 1.00 0.44 C ATOM 1271 O ARG A 85 10.019 -3.080 0.336 1.00 0.48 O ATOM 1272 CB ARG A 85 9.727 -5.717 -1.275 1.00 0.67 C ATOM 1273 CG ARG A 85 8.352 -6.231 -0.884 1.00 0.68 C ATOM 1274 CD ARG A 85 7.479 -6.458 -2.106 1.00 0.87 C ATOM 1275 NE ARG A 85 7.289 -5.232 -2.876 1.00 1.36 N ATOM 1276 CZ ARG A 85 7.031 -5.211 -4.179 1.00 1.62 C ATOM 1277 NH1 ARG A 85 6.932 -6.346 -4.859 1.00 1.60 N ATOM 1278 NH2 ARG A 85 6.870 -4.053 -4.807 1.00 2.17 N ATOM 0 H ARG A 85 10.297 -7.352 0.512 1.00 0.51 H new ATOM 0 HA ARG A 85 11.581 -5.008 -0.451 1.00 0.54 H new ATOM 0 HB2 ARG A 85 9.609 -4.833 -1.902 1.00 0.67 H new ATOM 0 HB3 ARG A 85 10.228 -6.473 -1.880 1.00 0.67 H new ATOM 0 HG2 ARG A 85 8.454 -7.164 -0.329 1.00 0.68 H new ATOM 0 HG3 ARG A 85 7.870 -5.515 -0.218 1.00 0.68 H new ATOM 0 HD2 ARG A 85 7.934 -7.218 -2.741 1.00 0.87 H new ATOM 0 HD3 ARG A 85 6.509 -6.844 -1.792 1.00 0.87 H new ATOM 0 HE ARG A 85 7.358 -4.341 -2.385 1.00 1.36 H new ATOM 0 HH11 ARG A 85 7.054 -7.239 -4.381 1.00 1.60 H new ATOM 0 HH12 ARG A 85 6.734 -6.326 -5.859 1.00 1.60 H new ATOM 0 HH21 ARG A 85 6.944 -3.177 -4.289 1.00 2.17 H new ATOM 0 HH22 ARG A 85 6.672 -4.039 -5.807 1.00 2.17 H new ATOM 1292 N VAL A 86 9.389 -4.594 1.872 1.00 0.34 N ATOM 1293 CA VAL A 86 8.745 -3.605 2.730 1.00 0.31 C ATOM 1294 C VAL A 86 9.775 -2.784 3.499 1.00 0.25 C ATOM 1295 O VAL A 86 9.851 -1.566 3.341 1.00 0.31 O ATOM 1296 CB VAL A 86 7.772 -4.266 3.726 1.00 0.32 C ATOM 1297 CG1 VAL A 86 7.289 -3.262 4.763 1.00 0.70 C ATOM 1298 CG2 VAL A 86 6.594 -4.876 2.985 1.00 0.77 C ATOM 0 H VAL A 86 9.342 -5.551 2.221 1.00 0.34 H new ATOM 0 HA VAL A 86 8.179 -2.943 2.075 1.00 0.31 H new ATOM 0 HB VAL A 86 8.305 -5.060 4.249 1.00 0.32 H new ATOM 0 HG11 VAL A 86 6.604 -3.753 5.454 1.00 0.70 H new ATOM 0 HG12 VAL A 86 8.143 -2.871 5.316 1.00 0.70 H new ATOM 0 HG13 VAL A 86 6.774 -2.442 4.263 1.00 0.70 H new ATOM 0 HG21 VAL A 86 5.915 -5.339 3.700 1.00 0.77 H new ATOM 0 HG22 VAL A 86 6.066 -4.096 2.436 1.00 0.77 H new ATOM 0 HG23 VAL A 86 6.955 -5.631 2.286 1.00 0.77 H new ATOM 1308 N LEU A 87 10.565 -3.454 4.331 1.00 0.18 N ATOM 1309 CA LEU A 87 11.585 -2.774 5.123 1.00 0.21 C ATOM 1310 C LEU A 87 12.671 -2.174 4.230 1.00 0.21 C ATOM 1311 O LEU A 87 13.341 -1.216 4.615 1.00 0.27 O ATOM 1312 CB LEU A 87 12.207 -3.739 6.135 1.00 0.27 C ATOM 1313 CG LEU A 87 11.524 -3.772 7.507 1.00 0.53 C ATOM 1314 CD1 LEU A 87 10.054 -4.153 7.374 1.00 1.18 C ATOM 1315 CD2 LEU A 87 12.244 -4.740 8.432 1.00 1.21 C ATOM 0 H LEU A 87 10.520 -4.463 4.475 1.00 0.18 H new ATOM 0 HA LEU A 87 11.101 -1.959 5.662 1.00 0.21 H new ATOM 0 HB2 LEU A 87 12.189 -4.744 5.713 1.00 0.27 H new ATOM 0 HB3 LEU A 87 13.254 -3.470 6.274 1.00 0.27 H new ATOM 0 HG LEU A 87 11.576 -2.773 7.939 1.00 0.53 H new ATOM 0 HD11 LEU A 87 9.592 -4.170 8.361 1.00 1.18 H new ATOM 0 HD12 LEU A 87 9.544 -3.422 6.747 1.00 1.18 H new ATOM 0 HD13 LEU A 87 9.974 -5.140 6.919 1.00 1.18 H new ATOM 0 HD21 LEU A 87 11.748 -4.753 9.403 1.00 1.21 H new ATOM 0 HD22 LEU A 87 12.222 -5.740 8.000 1.00 1.21 H new ATOM 0 HD23 LEU A 87 13.279 -4.422 8.558 1.00 1.21 H new ATOM 1327 N ASN A 88 12.838 -2.740 3.038 1.00 0.21 N ATOM 1328 CA ASN A 88 13.841 -2.253 2.096 1.00 0.26 C ATOM 1329 C ASN A 88 13.366 -0.974 1.417 1.00 0.23 C ATOM 1330 O ASN A 88 14.045 0.052 1.462 1.00 0.26 O ATOM 1331 CB ASN A 88 14.147 -3.318 1.041 1.00 0.32 C ATOM 1332 CG ASN A 88 15.356 -2.969 0.192 1.00 0.42 C ATOM 1333 OD1 ASN A 88 15.653 -1.797 -0.038 1.00 1.17 O ATOM 1334 ND2 ASN A 88 16.059 -3.991 -0.281 1.00 1.07 N ATOM 0 H ASN A 88 12.293 -3.534 2.702 1.00 0.21 H new ATOM 0 HA ASN A 88 14.752 -2.036 2.654 1.00 0.26 H new ATOM 0 HB2 ASN A 88 14.318 -4.274 1.535 1.00 0.32 H new ATOM 0 HB3 ASN A 88 13.278 -3.444 0.395 1.00 0.32 H new ATOM 0 HD21 ASN A 88 16.881 -3.820 -0.860 1.00 1.07 H new ATOM 0 HD22 ASN A 88 15.777 -4.947 -0.065 1.00 1.07 H new ATOM 1341 N ALA A 89 12.196 -1.043 0.788 1.00 0.22 N ATOM 1342 CA ALA A 89 11.628 0.111 0.101 1.00 0.24 C ATOM 1343 C ALA A 89 11.384 1.258 1.074 1.00 0.18 C ATOM 1344 O ALA A 89 11.745 2.401 0.799 1.00 0.19 O ATOM 1345 CB ALA A 89 10.335 -0.273 -0.601 1.00 0.31 C ATOM 0 H ALA A 89 11.624 -1.886 0.740 1.00 0.22 H new ATOM 0 HA ALA A 89 12.345 0.447 -0.648 1.00 0.24 H new ATOM 0 HB1 ALA A 89 9.924 0.599 -1.109 1.00 0.31 H new ATOM 0 HB2 ALA A 89 10.536 -1.057 -1.331 1.00 0.31 H new ATOM 0 HB3 ALA A 89 9.617 -0.637 0.133 1.00 0.31 H new ATOM 1351 N HIS A 90 10.766 0.945 2.210 1.00 0.20 N ATOM 1352 CA HIS A 90 10.479 1.952 3.224 1.00 0.21 C ATOM 1353 C HIS A 90 11.769 2.617 3.692 1.00 0.21 C ATOM 1354 O HIS A 90 11.915 3.846 3.635 1.00 0.23 O ATOM 1355 CB HIS A 90 9.754 1.318 4.414 1.00 0.27 C ATOM 1356 CG HIS A 90 9.387 2.298 5.484 1.00 0.38 C ATOM 1357 ND1 HIS A 90 8.195 2.991 5.495 1.00 0.54 N ATOM 1358 CD2 HIS A 90 10.062 2.699 6.589 1.00 0.47 C ATOM 1359 CE1 HIS A 90 8.153 3.776 6.557 1.00 0.64 C ATOM 1360 NE2 HIS A 90 9.273 3.615 7.237 1.00 0.59 N ATOM 0 H HIS A 90 10.455 0.004 2.450 1.00 0.20 H new ATOM 0 HA HIS A 90 9.833 2.711 2.783 1.00 0.21 H new ATOM 0 HB2 HIS A 90 8.849 0.827 4.057 1.00 0.27 H new ATOM 0 HB3 HIS A 90 10.389 0.543 4.845 1.00 0.27 H new ATOM 0 HD2 HIS A 90 11.039 2.360 6.901 1.00 0.47 H new ATOM 0 HE1 HIS A 90 7.341 4.437 6.823 1.00 0.64 H new ATOM 0 HE2 HIS A 90 9.513 4.095 8.105 1.00 0.59 H new ATOM 1369 N GLY A 91 12.708 1.793 4.153 1.00 0.24 N ATOM 1370 CA GLY A 91 13.982 2.306 4.614 1.00 0.29 C ATOM 1371 C GLY A 91 14.686 3.110 3.543 1.00 0.27 C ATOM 1372 O GLY A 91 15.404 4.058 3.843 1.00 0.31 O ATOM 0 H GLY A 91 12.606 0.780 4.214 1.00 0.24 H new ATOM 0 HA2 GLY A 91 13.825 2.931 5.493 1.00 0.29 H new ATOM 0 HA3 GLY A 91 14.618 1.476 4.922 1.00 0.29 H new ATOM 1376 N TYR A 92 14.474 2.729 2.289 1.00 0.24 N ATOM 1377 CA TYR A 92 15.081 3.420 1.157 1.00 0.24 C ATOM 1378 C TYR A 92 14.506 4.827 1.013 1.00 0.22 C ATOM 1379 O TYR A 92 15.239 5.779 0.763 1.00 0.28 O ATOM 1380 CB TYR A 92 14.861 2.604 -0.122 1.00 0.24 C ATOM 1381 CG TYR A 92 14.958 3.406 -1.401 1.00 0.24 C ATOM 1382 CD1 TYR A 92 16.180 3.620 -2.026 1.00 0.31 C ATOM 1383 CD2 TYR A 92 13.821 3.946 -1.983 1.00 0.20 C ATOM 1384 CE1 TYR A 92 16.263 4.350 -3.197 1.00 0.33 C ATOM 1385 CE2 TYR A 92 13.894 4.676 -3.152 1.00 0.24 C ATOM 1386 CZ TYR A 92 15.117 4.876 -3.754 1.00 0.30 C ATOM 1387 OH TYR A 92 15.193 5.604 -4.920 1.00 0.34 O ATOM 0 H TYR A 92 13.882 1.940 2.029 1.00 0.24 H new ATOM 0 HA TYR A 92 16.153 3.517 1.332 1.00 0.24 H new ATOM 0 HB2 TYR A 92 15.596 1.799 -0.156 1.00 0.24 H new ATOM 0 HB3 TYR A 92 13.878 2.136 -0.075 1.00 0.24 H new ATOM 0 HD1 TYR A 92 17.079 3.210 -1.590 1.00 0.31 H new ATOM 0 HD2 TYR A 92 12.861 3.793 -1.513 1.00 0.20 H new ATOM 0 HE1 TYR A 92 17.220 4.507 -3.673 1.00 0.33 H new ATOM 0 HE2 TYR A 92 12.998 5.088 -3.592 1.00 0.24 H new ATOM 0 HH TYR A 92 14.296 5.902 -5.179 1.00 0.34 H new ATOM 1397 N TRP A 93 13.194 4.958 1.171 1.00 0.19 N ATOM 1398 CA TRP A 93 12.549 6.262 1.062 1.00 0.21 C ATOM 1399 C TRP A 93 13.148 7.234 2.071 1.00 0.27 C ATOM 1400 O TRP A 93 13.600 8.321 1.712 1.00 0.32 O ATOM 1401 CB TRP A 93 11.040 6.164 1.304 1.00 0.21 C ATOM 1402 CG TRP A 93 10.327 5.183 0.424 1.00 0.18 C ATOM 1403 CD1 TRP A 93 10.663 4.805 -0.845 1.00 0.19 C ATOM 1404 CD2 TRP A 93 9.137 4.465 0.754 1.00 0.20 C ATOM 1405 NE1 TRP A 93 9.756 3.886 -1.317 1.00 0.20 N ATOM 1406 CE2 TRP A 93 8.808 3.663 -0.354 1.00 0.22 C ATOM 1407 CE3 TRP A 93 8.317 4.422 1.884 1.00 0.24 C ATOM 1408 CZ2 TRP A 93 7.696 2.827 -0.362 1.00 0.28 C ATOM 1409 CZ3 TRP A 93 7.213 3.593 1.875 1.00 0.30 C ATOM 1410 CH2 TRP A 93 6.911 2.805 0.759 1.00 0.32 C ATOM 0 H TRP A 93 12.560 4.185 1.373 1.00 0.19 H new ATOM 0 HA TRP A 93 12.719 6.624 0.048 1.00 0.21 H new ATOM 0 HB2 TRP A 93 10.870 5.888 2.345 1.00 0.21 H new ATOM 0 HB3 TRP A 93 10.598 7.150 1.159 1.00 0.21 H new ATOM 0 HD1 TRP A 93 11.515 5.174 -1.396 1.00 0.19 H new ATOM 0 HE1 TRP A 93 9.784 3.442 -2.235 1.00 0.20 H new ATOM 0 HE3 TRP A 93 8.543 5.027 2.750 1.00 0.24 H new ATOM 0 HZ2 TRP A 93 7.461 2.217 -1.222 1.00 0.28 H new ATOM 0 HZ3 TRP A 93 6.572 3.552 2.743 1.00 0.30 H new ATOM 0 HH2 TRP A 93 6.040 2.166 0.783 1.00 0.32 H new ATOM 1421 N THR A 94 13.148 6.828 3.338 1.00 0.29 N ATOM 1422 CA THR A 94 13.677 7.667 4.411 1.00 0.36 C ATOM 1423 C THR A 94 15.189 7.859 4.294 1.00 0.41 C ATOM 1424 O THR A 94 15.685 8.983 4.355 1.00 0.53 O ATOM 1425 CB THR A 94 13.354 7.073 5.795 1.00 0.37 C ATOM 1426 OG1 THR A 94 13.931 5.767 5.916 1.00 0.34 O ATOM 1427 CG2 THR A 94 11.851 6.992 6.011 1.00 0.39 C ATOM 0 H THR A 94 12.788 5.925 3.647 1.00 0.29 H new ATOM 0 HA THR A 94 13.191 8.638 4.309 1.00 0.36 H new ATOM 0 HB THR A 94 13.779 7.728 6.555 1.00 0.37 H new ATOM 0 HG1 THR A 94 13.722 5.398 6.799 1.00 0.34 H new ATOM 0 HG21 THR A 94 11.647 6.569 6.995 1.00 0.39 H new ATOM 0 HG22 THR A 94 11.420 7.991 5.949 1.00 0.39 H new ATOM 0 HG23 THR A 94 11.407 6.357 5.244 1.00 0.39 H new ATOM 1435 N GLN A 95 15.913 6.757 4.128 1.00 0.40 N ATOM 1436 CA GLN A 95 17.370 6.804 4.019 1.00 0.48 C ATOM 1437 C GLN A 95 17.817 7.536 2.762 1.00 0.53 C ATOM 1438 O GLN A 95 18.489 8.565 2.841 1.00 0.59 O ATOM 1439 CB GLN A 95 17.955 5.391 4.031 1.00 0.49 C ATOM 1440 CG GLN A 95 17.882 4.715 5.390 1.00 0.52 C ATOM 1441 CD GLN A 95 18.469 3.316 5.377 1.00 1.15 C ATOM 1442 OE1 GLN A 95 19.662 3.128 5.618 1.00 1.95 O ATOM 1443 NE2 GLN A 95 17.631 2.325 5.093 1.00 1.92 N ATOM 0 H GLN A 95 15.516 5.819 4.066 1.00 0.40 H new ATOM 0 HA GLN A 95 17.742 7.356 4.882 1.00 0.48 H new ATOM 0 HB2 GLN A 95 17.423 4.780 3.301 1.00 0.49 H new ATOM 0 HB3 GLN A 95 18.996 5.435 3.712 1.00 0.49 H new ATOM 0 HG2 GLN A 95 18.414 5.322 6.123 1.00 0.52 H new ATOM 0 HG3 GLN A 95 16.842 4.666 5.712 1.00 0.52 H new ATOM 0 HE21 GLN A 95 16.650 2.526 4.900 1.00 1.92 H new ATOM 0 HE22 GLN A 95 17.969 1.363 5.068 1.00 1.92 H new ATOM 1452 N GLN A 96 17.449 7.004 1.603 1.00 0.83 N ATOM 1453 CA GLN A 96 17.834 7.618 0.340 1.00 0.94 C ATOM 1454 C GLN A 96 17.264 9.029 0.221 1.00 0.86 C ATOM 1455 O GLN A 96 17.746 9.838 -0.574 1.00 0.86 O ATOM 1456 CB GLN A 96 17.381 6.765 -0.846 1.00 1.30 C ATOM 1457 CG GLN A 96 17.924 7.245 -2.183 1.00 1.60 C ATOM 1458 CD GLN A 96 19.438 7.188 -2.251 1.00 2.49 C ATOM 1459 OE1 GLN A 96 20.016 6.178 -2.654 1.00 3.18 O ATOM 1460 NE2 GLN A 96 20.089 8.277 -1.857 1.00 3.01 N ATOM 0 H GLN A 96 16.889 6.156 1.512 1.00 0.83 H new ATOM 0 HA GLN A 96 18.922 7.682 0.324 1.00 0.94 H new ATOM 0 HB2 GLN A 96 17.697 5.735 -0.684 1.00 1.30 H new ATOM 0 HB3 GLN A 96 16.292 6.762 -0.886 1.00 1.30 H new ATOM 0 HG2 GLN A 96 17.505 6.634 -2.982 1.00 1.60 H new ATOM 0 HG3 GLN A 96 17.594 8.269 -2.359 1.00 1.60 H new ATOM 0 HE21 GLN A 96 19.569 9.092 -1.530 1.00 3.01 H new ATOM 0 HE22 GLN A 96 21.108 8.298 -1.881 1.00 3.01 H new ATOM 1469 N GLN A 97 16.235 9.317 1.014 1.00 0.87 N ATOM 1470 CA GLN A 97 15.594 10.630 1.006 1.00 0.96 C ATOM 1471 C GLN A 97 15.037 10.959 -0.377 1.00 1.19 C ATOM 1472 O GLN A 97 15.205 12.073 -0.877 1.00 1.41 O ATOM 1473 CB GLN A 97 16.587 11.711 1.442 1.00 0.83 C ATOM 1474 CG GLN A 97 17.075 11.549 2.872 1.00 1.07 C ATOM 1475 CD GLN A 97 18.053 12.632 3.287 1.00 1.42 C ATOM 1476 OE1 GLN A 97 18.944 12.400 4.103 1.00 1.77 O ATOM 1477 NE2 GLN A 97 17.889 13.826 2.727 1.00 2.20 N ATOM 0 H GLN A 97 15.825 8.655 1.673 1.00 0.87 H new ATOM 0 HA GLN A 97 14.765 10.604 1.713 1.00 0.96 H new ATOM 0 HB2 GLN A 97 17.445 11.696 0.770 1.00 0.83 H new ATOM 0 HB3 GLN A 97 16.116 12.689 1.336 1.00 0.83 H new ATOM 0 HG2 GLN A 97 16.219 11.561 3.547 1.00 1.07 H new ATOM 0 HG3 GLN A 97 17.552 10.575 2.980 1.00 1.07 H new ATOM 0 HE21 GLN A 97 17.137 13.975 2.055 1.00 2.20 H new ATOM 0 HE22 GLN A 97 18.516 14.593 2.970 1.00 2.20 H new ATOM 1486 N MET A 98 14.368 9.983 -0.986 1.00 1.20 N ATOM 1487 CA MET A 98 13.779 10.161 -2.309 1.00 1.44 C ATOM 1488 C MET A 98 14.848 10.530 -3.335 1.00 1.61 C ATOM 1489 O MET A 98 14.664 11.445 -4.139 1.00 1.80 O ATOM 1490 CB MET A 98 12.696 11.244 -2.270 1.00 1.57 C ATOM 1491 CG MET A 98 11.564 10.935 -1.302 1.00 1.64 C ATOM 1492 SD MET A 98 10.297 12.219 -1.281 1.00 2.00 S ATOM 1493 CE MET A 98 11.248 13.626 -0.709 1.00 2.39 C ATOM 0 H MET A 98 14.220 9.058 -0.582 1.00 1.20 H new ATOM 0 HA MET A 98 13.325 9.216 -2.607 1.00 1.44 H new ATOM 0 HB2 MET A 98 13.153 12.194 -1.991 1.00 1.57 H new ATOM 0 HB3 MET A 98 12.283 11.370 -3.271 1.00 1.57 H new ATOM 0 HG2 MET A 98 11.107 9.984 -1.575 1.00 1.64 H new ATOM 0 HG3 MET A 98 11.972 10.816 -0.298 1.00 1.64 H new ATOM 0 HE1 MET A 98 10.573 14.383 -0.308 1.00 2.39 H new ATOM 0 HE2 MET A 98 11.938 13.306 0.071 1.00 2.39 H new ATOM 0 HE3 MET A 98 11.812 14.047 -1.542 1.00 2.39 H new ATOM 1503 N GLN A 99 15.963 9.806 -3.299 1.00 1.77 N ATOM 1504 CA GLN A 99 17.069 10.049 -4.216 1.00 2.06 C ATOM 1505 C GLN A 99 17.581 11.482 -4.082 1.00 1.82 C ATOM 1506 O GLN A 99 17.273 12.342 -4.909 1.00 2.41 O ATOM 1507 CB GLN A 99 16.641 9.773 -5.661 1.00 2.62 C ATOM 1508 CG GLN A 99 17.776 9.882 -6.666 1.00 3.49 C ATOM 1509 CD GLN A 99 17.326 9.598 -8.087 1.00 3.87 C ATOM 1510 OE1 GLN A 99 16.922 10.503 -8.814 1.00 3.94 O ATOM 1511 NE2 GLN A 99 17.395 8.334 -8.487 1.00 4.42 N ATOM 0 H GLN A 99 16.123 9.043 -2.641 1.00 1.77 H new ATOM 0 HA GLN A 99 17.879 9.368 -3.956 1.00 2.06 H new ATOM 0 HB2 GLN A 99 16.211 8.773 -5.719 1.00 2.62 H new ATOM 0 HB3 GLN A 99 15.854 10.474 -5.938 1.00 2.62 H new ATOM 0 HG2 GLN A 99 18.204 10.883 -6.618 1.00 3.49 H new ATOM 0 HG3 GLN A 99 18.567 9.183 -6.393 1.00 3.49 H new ATOM 0 HE21 GLN A 99 17.737 7.615 -7.849 1.00 4.42 H new ATOM 0 HE22 GLN A 99 17.106 8.082 -9.432 1.00 4.42 H new ATOM 1520 N GLN A 100 18.350 11.728 -3.025 1.00 1.64 N ATOM 1521 CA GLN A 100 18.914 13.051 -2.770 1.00 2.11 C ATOM 1522 C GLN A 100 17.813 14.098 -2.622 1.00 2.41 C ATOM 1523 O GLN A 100 16.626 13.771 -2.622 1.00 3.04 O ATOM 1524 CB GLN A 100 19.867 13.452 -3.898 1.00 2.89 C ATOM 1525 CG GLN A 100 21.031 12.491 -4.079 1.00 3.38 C ATOM 1526 CD GLN A 100 21.957 12.902 -5.209 1.00 4.11 C ATOM 1527 OE1 GLN A 100 22.107 14.087 -5.505 1.00 4.56 O ATOM 1528 NE2 GLN A 100 22.584 11.922 -5.846 1.00 4.74 N ATOM 0 H GLN A 100 18.598 11.025 -2.328 1.00 1.64 H new ATOM 0 HA GLN A 100 19.471 13.003 -1.834 1.00 2.11 H new ATOM 0 HB2 GLN A 100 19.307 13.512 -4.831 1.00 2.89 H new ATOM 0 HB3 GLN A 100 20.258 14.449 -3.696 1.00 2.89 H new ATOM 0 HG2 GLN A 100 21.599 12.436 -3.151 1.00 3.38 H new ATOM 0 HG3 GLN A 100 20.645 11.491 -4.276 1.00 3.38 H new ATOM 0 HE21 GLN A 100 22.431 10.953 -5.568 1.00 4.74 H new ATOM 0 HE22 GLN A 100 23.220 12.138 -6.614 1.00 4.74 H new ATOM 1537 N LEU A 101 18.217 15.360 -2.493 1.00 2.78 N ATOM 1538 CA LEU A 101 17.267 16.456 -2.344 1.00 3.83 C ATOM 1539 C LEU A 101 17.038 17.160 -3.677 1.00 4.48 C ATOM 1540 O LEU A 101 15.897 17.397 -4.077 1.00 5.34 O ATOM 1541 CB LEU A 101 17.769 17.462 -1.302 1.00 4.43 C ATOM 1542 CG LEU A 101 17.761 16.967 0.147 1.00 4.77 C ATOM 1543 CD1 LEU A 101 18.856 15.935 0.371 1.00 4.69 C ATOM 1544 CD2 LEU A 101 17.923 18.134 1.107 1.00 5.61 C ATOM 0 H LEU A 101 19.196 15.647 -2.489 1.00 2.78 H new ATOM 0 HA LEU A 101 16.319 16.037 -2.005 1.00 3.83 H new ATOM 0 HB2 LEU A 101 18.787 17.752 -1.563 1.00 4.43 H new ATOM 0 HB3 LEU A 101 17.155 18.361 -1.364 1.00 4.43 H new ATOM 0 HG LEU A 101 16.800 16.490 0.340 1.00 4.77 H new ATOM 0 HD11 LEU A 101 18.831 15.597 1.407 1.00 4.69 H new ATOM 0 HD12 LEU A 101 18.695 15.085 -0.292 1.00 4.69 H new ATOM 0 HD13 LEU A 101 19.827 16.383 0.158 1.00 4.69 H new ATOM 0 HD21 LEU A 101 17.915 17.765 2.133 1.00 5.61 H new ATOM 0 HD22 LEU A 101 18.869 18.639 0.910 1.00 5.61 H new ATOM 0 HD23 LEU A 101 17.101 18.836 0.968 1.00 5.61 H new ATOM 1556 N GLN A 102 18.129 17.495 -4.359 1.00 4.30 N ATOM 1557 CA GLN A 102 18.050 18.171 -5.648 1.00 5.04 C ATOM 1558 C GLN A 102 17.468 17.244 -6.710 1.00 4.85 C ATOM 1559 O GLN A 102 17.756 16.047 -6.726 1.00 4.39 O ATOM 1560 CB GLN A 102 19.435 18.657 -6.078 1.00 5.64 C ATOM 1561 CG GLN A 102 19.426 19.465 -7.365 1.00 6.55 C ATOM 1562 CD GLN A 102 20.810 19.937 -7.767 1.00 7.14 C ATOM 1563 OE1 GLN A 102 21.246 21.019 -7.377 1.00 7.84 O ATOM 1564 NE2 GLN A 102 21.508 19.123 -8.550 1.00 7.12 N ATOM 0 H GLN A 102 19.079 17.309 -4.039 1.00 4.30 H new ATOM 0 HA GLN A 102 17.390 19.032 -5.542 1.00 5.04 H new ATOM 0 HB2 GLN A 102 19.861 19.266 -5.280 1.00 5.64 H new ATOM 0 HB3 GLN A 102 20.090 17.795 -6.205 1.00 5.64 H new ATOM 0 HG2 GLN A 102 19.006 18.859 -8.167 1.00 6.55 H new ATOM 0 HG3 GLN A 102 18.773 20.329 -7.243 1.00 6.55 H new ATOM 0 HE21 GLN A 102 21.106 18.235 -8.849 1.00 7.12 H new ATOM 0 HE22 GLN A 102 22.446 19.386 -8.852 1.00 7.12 H new ATOM 1573 N GLN A 103 16.648 17.806 -7.593 1.00 5.38 N ATOM 1574 CA GLN A 103 16.018 17.035 -8.663 1.00 5.37 C ATOM 1575 C GLN A 103 15.177 15.899 -8.097 1.00 4.86 C ATOM 1576 O GLN A 103 15.675 14.796 -7.875 1.00 4.73 O ATOM 1577 CB GLN A 103 17.074 16.479 -9.621 1.00 6.20 C ATOM 1578 CG GLN A 103 17.849 17.553 -10.367 1.00 6.93 C ATOM 1579 CD GLN A 103 16.956 18.417 -11.237 1.00 7.74 C ATOM 1580 OE1 GLN A 103 16.725 18.110 -12.407 1.00 8.12 O ATOM 1581 NE2 GLN A 103 16.449 19.505 -10.670 1.00 8.28 N ATOM 0 H GLN A 103 16.403 18.796 -7.589 1.00 5.38 H new ATOM 0 HA GLN A 103 15.361 17.707 -9.215 1.00 5.37 H new ATOM 0 HB2 GLN A 103 17.775 15.863 -9.057 1.00 6.20 H new ATOM 0 HB3 GLN A 103 16.587 15.826 -10.345 1.00 6.20 H new ATOM 0 HG2 GLN A 103 18.371 18.185 -9.648 1.00 6.93 H new ATOM 0 HG3 GLN A 103 18.610 17.081 -10.989 1.00 6.93 H new ATOM 0 HE21 GLN A 103 16.666 19.722 -9.697 1.00 8.28 H new ATOM 0 HE22 GLN A 103 15.842 20.124 -11.207 1.00 8.28 H new ATOM 1590 N ASN A 104 13.900 16.179 -7.859 1.00 4.95 N ATOM 1591 CA ASN A 104 12.994 15.175 -7.326 1.00 4.92 C ATOM 1592 C ASN A 104 12.449 14.304 -8.451 1.00 4.38 C ATOM 1593 O ASN A 104 11.283 14.417 -8.833 1.00 4.77 O ATOM 1594 CB ASN A 104 11.841 15.839 -6.570 1.00 5.78 C ATOM 1595 CG ASN A 104 12.321 16.687 -5.406 1.00 6.30 C ATOM 1596 OD1 ASN A 104 11.707 17.698 -5.067 1.00 6.58 O ATOM 1597 ND2 ASN A 104 13.420 16.276 -4.784 1.00 6.74 N ATOM 0 H ASN A 104 13.473 17.090 -8.027 1.00 4.95 H new ATOM 0 HA ASN A 104 13.549 14.546 -6.631 1.00 4.92 H new ATOM 0 HB2 ASN A 104 11.271 16.462 -7.259 1.00 5.78 H new ATOM 0 HB3 ASN A 104 11.163 15.070 -6.200 1.00 5.78 H new ATOM 0 HD21 ASN A 104 13.786 16.805 -3.992 1.00 6.74 H new ATOM 0 HD22 ASN A 104 13.898 15.432 -5.098 1.00 6.74 H new ATOM 1604 N VAL A 105 13.310 13.441 -8.980 1.00 3.82 N ATOM 1605 CA VAL A 105 12.932 12.534 -10.060 1.00 3.47 C ATOM 1606 C VAL A 105 12.416 13.304 -11.272 1.00 4.13 C ATOM 1607 O VAL A 105 11.192 13.541 -11.346 1.00 4.85 O ATOM 1608 CB VAL A 105 11.857 11.528 -9.602 1.00 2.75 C ATOM 1609 CG1 VAL A 105 11.566 10.516 -10.699 1.00 2.73 C ATOM 1610 CG2 VAL A 105 12.292 10.828 -8.323 1.00 2.66 C ATOM 1611 OXT VAL A 105 13.241 13.666 -12.137 1.00 4.21 O ATOM 0 H VAL A 105 14.280 13.350 -8.677 1.00 3.82 H new ATOM 0 HA VAL A 105 13.831 11.986 -10.341 1.00 3.47 H new ATOM 0 HB VAL A 105 10.938 12.077 -9.396 1.00 2.75 H new ATOM 0 HG11 VAL A 105 10.805 9.816 -10.355 1.00 2.73 H new ATOM 0 HG12 VAL A 105 11.206 11.036 -11.587 1.00 2.73 H new ATOM 0 HG13 VAL A 105 12.478 9.971 -10.942 1.00 2.73 H new ATOM 0 HG21 VAL A 105 11.521 10.122 -8.015 1.00 2.66 H new ATOM 0 HG22 VAL A 105 13.225 10.293 -8.500 1.00 2.66 H new ATOM 0 HG23 VAL A 105 12.442 11.568 -7.536 1.00 2.66 H new TER 1621 VAL A 105