USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 457 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 23 ASN : amide:sc= 0.666! C(o=-5.2!,f=-9.3!) USER MOD Set 1.2: A 26 GLN : amide:sc= -2.41! K(o=-5.2!,f=-4.5) USER MOD Set 1.3: A 55 GLN : amide:sc= -3.49! C(o=-5.2!,f=-7.7!) USER MOD Set 2.1: A 6 ASN : amide:sc= -1.12 K(o=0.67,f=-5.3) USER MOD Set 2.2: A 7 LYS NZ :NH3+ -177:sc= 1.47! (180deg=-0.761!) USER MOD Set 2.3: A 9 GLN : amide:sc= -1.36! C(o=0.67!,f=-8.5!) USER MOD Set 2.4: A 39 SER OG : rot -56:sc= 1.67 USER MOD Set 3.1: A 32 GLN : amide:sc= 0.384 K(o=-0.76,f=-7.5) USER MOD Set 3.2: A 35 LYS NZ :NH3+ 179:sc= -1.15! (180deg=-2.04!) USER MOD Set 4.1: A 1 VAL N :NH3+ 175:sc= 1.14 (180deg=-0.154) USER MOD Set 4.2: A 10 GLN : amide:sc= 0.671 K(o=1.8,f=-13!) USER MOD Set 4.3: A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -3.2! K(o=-3.2!,f=0.23) USER MOD Single : A 4 LYS NZ :NH3+ -167:sc= -0.16 (180deg=-0.845) USER MOD Single : A 11 ASN : amide:sc= -0.716! K(o=-0.72!,f=-0.096) USER MOD Single : A 18 HIS : no HE2:sc= 0.753 K(o=0.75,f=-3!) USER MOD Single : A 21 ASN : amide:sc= -0.207 X(o=-0.21,f=-0.62) USER MOD Single : A 28 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.17) USER MOD Single : A 33 SER OG : rot 46:sc= -0.159 USER MOD Single : A 40 GLN : amide:sc= 0.286 K(o=0.29,f=-5.9!) USER MOD Single : A 41 SER OG : rot -80:sc= -0.0245 USER MOD Single : A 43 ASN : amide:sc= 0.0522 K(o=0.052,f=-1.7!) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0.191! (180deg=-0.0381!) USER MOD Single : A 50 LYS NZ :NH3+ 150:sc= -0.962 (180deg=-1.34!) USER MOD Single : A 52 ASN : amide:sc= -0.0434 K(o=-0.043,f=-8.4!) USER MOD Single : A 58 LYS NZ :NH3+ -161:sc= 1.69 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.456 -5.751 -9.907 1.00 0.00 N ATOM 2 CA VAL A 1 6.730 -6.186 -9.336 1.00 0.00 C ATOM 3 C VAL A 1 7.042 -7.656 -9.633 1.00 0.00 C ATOM 4 O VAL A 1 6.365 -8.226 -10.486 1.00 0.00 O ATOM 5 CB VAL A 1 6.787 -5.837 -7.825 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.318 -4.407 -7.639 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.437 -5.982 -7.106 1.00 0.00 C ATOM 0 H1 VAL A 1 5.255 -4.776 -9.605 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.510 -5.788 -10.945 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.695 -6.379 -9.578 1.00 0.00 H new ATOM 0 HA VAL A 1 7.529 -5.632 -9.829 1.00 0.00 H new ATOM 0 HB VAL A 1 7.462 -6.561 -7.369 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.356 -4.168 -6.576 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.319 -4.333 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 1 6.656 -3.704 -8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 1 5.555 -5.721 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.707 -5.316 -7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.090 -7.012 -7.188 1.00 0.00 H new ATOM 19 N ASP A 2 8.011 -8.326 -8.993 1.00 0.00 N ATOM 20 CA ASP A 2 8.371 -9.705 -9.296 1.00 0.00 C ATOM 21 C ASP A 2 7.588 -10.849 -8.625 1.00 0.00 C ATOM 22 O ASP A 2 6.452 -10.702 -8.182 1.00 0.00 O ATOM 23 CB ASP A 2 9.881 -9.758 -8.968 1.00 0.00 C ATOM 24 CG ASP A 2 10.108 -9.720 -7.471 1.00 0.00 C ATOM 25 OD1 ASP A 2 10.160 -8.645 -6.881 1.00 0.00 O ATOM 26 OD2 ASP A 2 10.252 -10.790 -6.891 1.00 0.00 O ATOM 0 H ASP A 2 8.568 -7.915 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 2 8.103 -9.910 -10.332 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.316 -10.667 -9.383 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.390 -8.917 -9.439 1.00 0.00 H new ATOM 31 N ASN A 3 8.228 -12.021 -8.521 1.00 0.00 N ATOM 32 CA ASN A 3 7.637 -13.238 -7.965 1.00 0.00 C ATOM 33 C ASN A 3 7.369 -13.220 -6.469 1.00 0.00 C ATOM 34 O ASN A 3 6.509 -13.944 -5.972 1.00 0.00 O ATOM 35 CB ASN A 3 8.502 -14.473 -8.329 1.00 0.00 C ATOM 36 CG ASN A 3 9.880 -14.408 -7.692 1.00 0.00 C ATOM 37 OD1 ASN A 3 10.272 -15.247 -6.894 1.00 0.00 O ATOM 38 ND2 ASN A 3 10.680 -13.414 -8.025 1.00 0.00 N ATOM 0 H ASN A 3 9.192 -12.149 -8.829 1.00 0.00 H new ATOM 0 HA ASN A 3 6.652 -13.298 -8.428 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.994 -15.381 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.606 -14.537 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.613 -13.352 -7.618 1.00 0.00 H new ATOM 0 HD22 ASN A 3 10.366 -12.707 -8.690 1.00 0.00 H new ATOM 45 N LYS A 4 8.097 -12.389 -5.733 1.00 0.00 N ATOM 46 CA LYS A 4 7.878 -12.258 -4.287 1.00 0.00 C ATOM 47 C LYS A 4 6.433 -11.826 -4.030 1.00 0.00 C ATOM 48 O LYS A 4 5.801 -12.110 -3.015 1.00 0.00 O ATOM 49 CB LYS A 4 8.794 -11.174 -3.693 1.00 0.00 C ATOM 50 CG LYS A 4 10.298 -11.439 -3.817 1.00 0.00 C ATOM 51 CD LYS A 4 11.036 -10.116 -3.528 1.00 0.00 C ATOM 52 CE LYS A 4 12.455 -10.065 -4.094 1.00 0.00 C ATOM 53 NZ LYS A 4 12.373 -10.050 -5.544 1.00 0.00 N ATOM 0 H LYS A 4 8.840 -11.797 -6.105 1.00 0.00 H new ATOM 0 HA LYS A 4 8.093 -13.222 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.569 -10.226 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.550 -11.055 -2.637 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.609 -12.211 -3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.541 -11.801 -4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.459 -9.290 -3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.079 -9.963 -2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.974 -9.176 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.029 -10.928 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 13.313 -10.237 -5.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.708 -10.784 -5.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.038 -9.118 -5.863 1.00 0.00 H new ATOM 67 N PHE A 5 5.944 -11.119 -5.050 1.00 0.00 N ATOM 68 CA PHE A 5 4.622 -10.534 -5.093 1.00 0.00 C ATOM 69 C PHE A 5 3.643 -11.381 -5.902 1.00 0.00 C ATOM 70 O PHE A 5 3.703 -11.451 -7.135 1.00 0.00 O ATOM 71 CB PHE A 5 4.741 -9.138 -5.720 1.00 0.00 C ATOM 72 CG PHE A 5 5.721 -8.249 -4.977 1.00 0.00 C ATOM 73 CD1 PHE A 5 5.305 -7.464 -3.893 1.00 0.00 C ATOM 74 CD2 PHE A 5 7.070 -8.215 -5.385 1.00 0.00 C ATOM 75 CE1 PHE A 5 6.243 -6.651 -3.232 1.00 0.00 C ATOM 76 CE2 PHE A 5 8.003 -7.401 -4.721 1.00 0.00 C ATOM 77 CZ PHE A 5 7.586 -6.616 -3.639 1.00 0.00 C ATOM 0 H PHE A 5 6.485 -10.937 -5.895 1.00 0.00 H new ATOM 0 HA PHE A 5 4.230 -10.478 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 5 5.059 -9.235 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.760 -8.663 -5.730 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.275 -7.483 -3.569 1.00 0.00 H new ATOM 0 HD2 PHE A 5 7.390 -8.822 -6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.925 -6.044 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.034 -7.381 -5.043 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.294 -5.987 -3.120 1.00 0.00 H new ATOM 87 N ASN A 6 2.727 -12.056 -5.207 1.00 0.00 N ATOM 88 CA ASN A 6 1.714 -12.851 -5.894 1.00 0.00 C ATOM 89 C ASN A 6 0.410 -12.064 -6.119 1.00 0.00 C ATOM 90 O ASN A 6 0.440 -10.835 -6.149 1.00 0.00 O ATOM 91 CB ASN A 6 1.540 -14.216 -5.160 1.00 0.00 C ATOM 92 CG ASN A 6 0.871 -14.179 -3.801 1.00 0.00 C ATOM 93 OD1 ASN A 6 0.413 -15.211 -3.326 1.00 0.00 O ATOM 94 ND2 ASN A 6 0.756 -13.064 -3.114 1.00 0.00 N ATOM 0 H ASN A 6 2.666 -12.068 -4.189 1.00 0.00 H new ATOM 0 HA ASN A 6 2.050 -13.081 -6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.962 -14.878 -5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 6 2.525 -14.666 -5.042 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.293 -13.070 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 6 1.130 -12.193 -3.490 1.00 0.00 H new ATOM 101 N LYS A 7 -0.756 -12.705 -6.258 1.00 0.00 N ATOM 102 CA LYS A 7 -2.056 -12.075 -6.537 1.00 0.00 C ATOM 103 C LYS A 7 -2.411 -10.734 -5.859 1.00 0.00 C ATOM 104 O LYS A 7 -2.132 -9.669 -6.429 1.00 0.00 O ATOM 105 CB LYS A 7 -3.129 -13.167 -6.254 1.00 0.00 C ATOM 106 CG LYS A 7 -3.130 -13.611 -4.774 1.00 0.00 C ATOM 107 CD LYS A 7 -3.101 -15.127 -4.540 1.00 0.00 C ATOM 108 CE LYS A 7 -3.228 -15.449 -3.036 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.157 -14.806 -2.288 1.00 0.00 N ATOM 0 H LYS A 7 -0.825 -13.719 -6.176 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.011 -11.741 -7.574 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.115 -12.783 -6.518 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.943 -14.031 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.266 -13.168 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.018 -13.203 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.915 -15.600 -5.088 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.171 -15.542 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.195 -15.109 -2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.190 -16.528 -2.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.225 -15.073 -1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.238 -15.112 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.242 -13.773 -2.378 1.00 0.00 H new ATOM 123 N GLU A 8 -3.026 -10.686 -4.671 1.00 0.00 N ATOM 124 CA GLU A 8 -3.406 -9.422 -4.043 1.00 0.00 C ATOM 125 C GLU A 8 -2.184 -8.535 -3.867 1.00 0.00 C ATOM 126 O GLU A 8 -2.219 -7.348 -4.167 1.00 0.00 O ATOM 127 CB GLU A 8 -4.163 -9.639 -2.708 1.00 0.00 C ATOM 128 CG GLU A 8 -3.317 -10.261 -1.571 1.00 0.00 C ATOM 129 CD GLU A 8 -2.866 -11.656 -1.936 1.00 0.00 C ATOM 130 OE1 GLU A 8 -3.637 -12.590 -1.748 1.00 0.00 O ATOM 131 OE2 GLU A 8 -1.754 -11.847 -2.418 1.00 0.00 O ATOM 0 H GLU A 8 -3.270 -11.513 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.104 -8.911 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.552 -8.679 -2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.022 -10.283 -2.895 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.448 -9.633 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.902 -10.292 -0.652 1.00 0.00 H new ATOM 138 N GLN A 9 -1.092 -9.118 -3.378 1.00 0.00 N ATOM 139 CA GLN A 9 0.192 -8.508 -3.170 1.00 0.00 C ATOM 140 C GLN A 9 0.540 -7.563 -4.330 1.00 0.00 C ATOM 141 O GLN A 9 0.913 -6.407 -4.158 1.00 0.00 O ATOM 142 CB GLN A 9 1.076 -9.708 -3.059 1.00 0.00 C ATOM 143 CG GLN A 9 2.154 -9.475 -2.042 1.00 0.00 C ATOM 144 CD GLN A 9 3.214 -10.548 -1.944 1.00 0.00 C ATOM 145 OE1 GLN A 9 3.071 -11.689 -2.364 1.00 0.00 O ATOM 146 NE2 GLN A 9 4.369 -10.211 -1.442 1.00 0.00 N ATOM 0 H GLN A 9 -1.096 -10.100 -3.101 1.00 0.00 H new ATOM 0 HA GLN A 9 0.272 -7.860 -2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.484 -10.578 -2.777 1.00 0.00 H new ATOM 0 HB3 GLN A 9 1.524 -9.928 -4.028 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.643 -8.528 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.686 -9.364 -1.064 1.00 0.00 H new ATOM 0 HE21 GLN A 9 4.514 -9.266 -1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 9 5.128 -10.892 -1.406 1.00 0.00 H new ATOM 155 N GLN A 10 0.411 -8.024 -5.570 1.00 0.00 N ATOM 156 CA GLN A 10 0.674 -7.188 -6.733 1.00 0.00 C ATOM 157 C GLN A 10 -0.353 -6.080 -6.932 1.00 0.00 C ATOM 158 O GLN A 10 0.020 -4.923 -7.135 1.00 0.00 O ATOM 159 CB GLN A 10 0.728 -8.106 -7.974 1.00 0.00 C ATOM 160 CG GLN A 10 1.967 -9.033 -7.984 1.00 0.00 C ATOM 161 CD GLN A 10 3.152 -8.418 -8.687 1.00 0.00 C ATOM 162 OE1 GLN A 10 3.219 -7.245 -9.032 1.00 0.00 O ATOM 163 NE2 GLN A 10 4.139 -9.245 -8.927 1.00 0.00 N ATOM 0 H GLN A 10 0.124 -8.977 -5.794 1.00 0.00 H new ATOM 0 HA GLN A 10 1.624 -6.677 -6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.175 -8.715 -8.009 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.733 -7.492 -8.874 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.244 -9.273 -6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.708 -9.973 -8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.070 -10.220 -8.634 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.976 -8.914 -9.407 1.00 0.00 H new ATOM 172 N ASN A 11 -1.652 -6.396 -6.864 1.00 0.00 N ATOM 173 CA ASN A 11 -2.692 -5.363 -7.012 1.00 0.00 C ATOM 174 C ASN A 11 -2.411 -4.202 -6.047 1.00 0.00 C ATOM 175 O ASN A 11 -2.485 -3.014 -6.363 1.00 0.00 O ATOM 176 CB ASN A 11 -4.090 -5.985 -6.742 1.00 0.00 C ATOM 177 CG ASN A 11 -5.246 -5.080 -7.166 1.00 0.00 C ATOM 178 OD1 ASN A 11 -6.346 -5.548 -7.424 1.00 0.00 O ATOM 179 ND2 ASN A 11 -5.112 -3.773 -7.294 1.00 0.00 N ATOM 0 H ASN A 11 -2.007 -7.340 -6.710 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.680 -4.973 -8.030 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -4.167 -6.934 -7.273 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -4.182 -6.207 -5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.905 -3.206 -7.595 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -4.216 -3.330 -7.092 1.00 0.00 H new ATOM 186 N ALA A 12 -2.075 -4.627 -4.834 1.00 0.00 N ATOM 187 CA ALA A 12 -1.705 -3.784 -3.723 1.00 0.00 C ATOM 188 C ALA A 12 -0.473 -2.961 -4.030 1.00 0.00 C ATOM 189 O ALA A 12 -0.467 -1.747 -3.844 1.00 0.00 O ATOM 190 CB ALA A 12 -1.480 -4.713 -2.512 1.00 0.00 C ATOM 0 H ALA A 12 -2.055 -5.619 -4.596 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.495 -3.063 -3.512 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.197 -4.117 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.399 -5.257 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.684 -5.422 -2.740 1.00 0.00 H new ATOM 196 N PHE A 13 0.582 -3.596 -4.524 1.00 0.00 N ATOM 197 CA PHE A 13 1.784 -2.867 -4.884 1.00 0.00 C ATOM 198 C PHE A 13 1.489 -1.738 -5.873 1.00 0.00 C ATOM 199 O PHE A 13 1.854 -0.577 -5.696 1.00 0.00 O ATOM 200 CB PHE A 13 2.764 -3.916 -5.430 1.00 0.00 C ATOM 201 CG PHE A 13 4.135 -3.254 -5.466 1.00 0.00 C ATOM 202 CD1 PHE A 13 4.628 -2.472 -6.529 1.00 0.00 C ATOM 203 CD2 PHE A 13 4.948 -3.454 -4.337 1.00 0.00 C ATOM 204 CE1 PHE A 13 5.923 -1.909 -6.429 1.00 0.00 C ATOM 205 CE2 PHE A 13 6.229 -2.897 -4.244 1.00 0.00 C ATOM 206 CZ PHE A 13 6.721 -2.117 -5.294 1.00 0.00 C ATOM 0 H PHE A 13 0.627 -4.603 -4.682 1.00 0.00 H new ATOM 0 HA PHE A 13 2.220 -2.357 -4.025 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.778 -4.801 -4.794 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.466 -4.244 -6.426 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.025 -2.304 -7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.575 -4.053 -3.520 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.304 -1.308 -7.242 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.834 -3.069 -3.366 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.706 -1.679 -5.232 1.00 0.00 H new ATOM 216 N TYR A 14 0.797 -2.105 -6.942 1.00 0.00 N ATOM 217 CA TYR A 14 0.375 -1.170 -7.979 1.00 0.00 C ATOM 218 C TYR A 14 -0.476 -0.011 -7.474 1.00 0.00 C ATOM 219 O TYR A 14 -0.179 1.159 -7.739 1.00 0.00 O ATOM 220 CB TYR A 14 -0.373 -2.005 -9.068 1.00 0.00 C ATOM 221 CG TYR A 14 0.676 -2.799 -9.865 1.00 0.00 C ATOM 222 CD1 TYR A 14 1.677 -2.076 -10.553 1.00 0.00 C ATOM 223 CD2 TYR A 14 0.698 -4.210 -9.943 1.00 0.00 C ATOM 224 CE1 TYR A 14 2.674 -2.726 -11.296 1.00 0.00 C ATOM 225 CE2 TYR A 14 1.690 -4.882 -10.680 1.00 0.00 C ATOM 226 CZ TYR A 14 2.678 -4.135 -11.354 1.00 0.00 C ATOM 227 OH TYR A 14 3.644 -4.763 -12.068 1.00 0.00 O ATOM 0 H TYR A 14 0.509 -3.068 -7.117 1.00 0.00 H new ATOM 0 HA TYR A 14 1.259 -0.680 -8.387 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.090 -2.682 -8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.937 -1.348 -9.730 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.674 -0.997 -10.506 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.060 -4.782 -9.428 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.428 -2.155 -11.817 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.695 -5.961 -10.729 1.00 0.00 H new ATOM 0 HH TYR A 14 3.514 -5.733 -12.012 1.00 0.00 H new ATOM 237 N GLU A 15 -1.541 -0.300 -6.726 1.00 0.00 N ATOM 238 CA GLU A 15 -2.363 0.770 -6.182 1.00 0.00 C ATOM 239 C GLU A 15 -1.548 1.652 -5.247 1.00 0.00 C ATOM 240 O GLU A 15 -1.704 2.871 -5.234 1.00 0.00 O ATOM 241 CB GLU A 15 -3.636 0.209 -5.523 1.00 0.00 C ATOM 242 CG GLU A 15 -4.551 1.324 -4.916 1.00 0.00 C ATOM 243 CD GLU A 15 -5.124 2.281 -5.959 1.00 0.00 C ATOM 244 OE1 GLU A 15 -5.999 1.869 -6.715 1.00 0.00 O ATOM 245 OE2 GLU A 15 -4.719 3.447 -5.990 1.00 0.00 O ATOM 0 H GLU A 15 -1.846 -1.244 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.698 1.407 -7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.203 -0.356 -6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.353 -0.490 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.373 0.854 -4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.977 1.896 -4.187 1.00 0.00 H new ATOM 252 N ILE A 16 -0.633 1.064 -4.470 1.00 0.00 N ATOM 253 CA ILE A 16 0.232 1.819 -3.571 1.00 0.00 C ATOM 254 C ILE A 16 1.017 2.841 -4.381 1.00 0.00 C ATOM 255 O ILE A 16 1.000 4.038 -4.083 1.00 0.00 O ATOM 256 CB ILE A 16 1.130 0.814 -2.824 1.00 0.00 C ATOM 257 CG1 ILE A 16 0.367 0.253 -1.617 1.00 0.00 C ATOM 258 CG2 ILE A 16 2.496 1.391 -2.364 1.00 0.00 C ATOM 259 CD1 ILE A 16 1.080 -0.984 -1.061 1.00 0.00 C ATOM 0 H ILE A 16 -0.475 0.057 -4.449 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.335 2.378 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 16 1.369 0.027 -3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.290 1.015 -0.842 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.650 -0.007 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.063 0.616 -1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.058 1.733 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.328 2.229 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.526 -1.369 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.134 -1.751 -1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.088 -0.713 -0.748 1.00 0.00 H new ATOM 271 N LEU A 17 1.698 2.370 -5.435 1.00 0.00 N ATOM 272 CA LEU A 17 2.445 3.256 -6.324 1.00 0.00 C ATOM 273 C LEU A 17 1.543 4.404 -6.781 1.00 0.00 C ATOM 274 O LEU A 17 1.881 5.583 -6.699 1.00 0.00 O ATOM 275 CB LEU A 17 2.975 2.467 -7.534 1.00 0.00 C ATOM 276 CG LEU A 17 4.041 1.415 -7.176 1.00 0.00 C ATOM 277 CD1 LEU A 17 4.280 0.558 -8.416 1.00 0.00 C ATOM 278 CD2 LEU A 17 5.368 2.004 -6.684 1.00 0.00 C ATOM 0 H LEU A 17 1.744 1.383 -5.688 1.00 0.00 H new ATOM 0 HA LEU A 17 3.298 3.672 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.139 1.970 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.398 3.167 -8.255 1.00 0.00 H new ATOM 0 HG LEU A 17 3.660 0.830 -6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.032 -0.199 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.349 0.071 -8.707 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.630 1.189 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.062 1.195 -6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.795 2.638 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.192 2.598 -5.787 1.00 0.00 H new ATOM 290 N HIS A 18 0.354 4.015 -7.246 1.00 0.00 N ATOM 291 CA HIS A 18 -0.684 4.936 -7.697 1.00 0.00 C ATOM 292 C HIS A 18 -1.282 5.886 -6.645 1.00 0.00 C ATOM 293 O HIS A 18 -1.927 6.850 -7.057 1.00 0.00 O ATOM 294 CB HIS A 18 -1.797 4.049 -8.324 1.00 0.00 C ATOM 295 CG HIS A 18 -2.944 4.880 -8.880 1.00 0.00 C ATOM 296 ND1 HIS A 18 -4.118 5.046 -8.293 1.00 0.00 N ATOM 297 CD2 HIS A 18 -2.872 5.760 -9.932 1.00 0.00 C ATOM 298 CE1 HIS A 18 -4.745 5.986 -8.951 1.00 0.00 C ATOM 299 NE2 HIS A 18 -4.000 6.417 -9.939 1.00 0.00 N ATOM 0 H HIS A 18 0.084 3.034 -7.320 1.00 0.00 H new ATOM 0 HA HIS A 18 -0.218 5.629 -8.397 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -1.370 3.442 -9.122 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -2.180 3.361 -7.570 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.468 4.537 -7.481 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -2.046 5.884 -10.617 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.733 6.353 -8.715 1.00 0.00 H new ATOM 307 N LEU A 19 -1.115 5.740 -5.324 1.00 0.00 N ATOM 308 CA LEU A 19 -1.743 6.629 -4.338 1.00 0.00 C ATOM 309 C LEU A 19 -1.486 8.146 -4.496 1.00 0.00 C ATOM 310 O LEU A 19 -0.462 8.668 -4.033 1.00 0.00 O ATOM 311 CB LEU A 19 -1.343 6.143 -2.938 1.00 0.00 C ATOM 312 CG LEU A 19 -1.882 4.797 -2.531 1.00 0.00 C ATOM 313 CD1 LEU A 19 -1.321 4.443 -1.157 1.00 0.00 C ATOM 314 CD2 LEU A 19 -3.413 4.730 -2.480 1.00 0.00 C ATOM 0 H LEU A 19 -0.542 5.004 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.816 6.555 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.255 6.109 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.676 6.882 -2.209 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.568 4.086 -3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.703 3.470 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.233 4.407 -1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.626 5.199 -0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.724 3.729 -2.179 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.785 5.458 -1.759 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.820 4.955 -3.466 1.00 0.00 H new ATOM 326 N PRO A 20 -2.445 8.911 -5.063 1.00 0.00 N ATOM 327 CA PRO A 20 -2.328 10.352 -5.328 1.00 0.00 C ATOM 328 C PRO A 20 -2.015 11.232 -4.124 1.00 0.00 C ATOM 329 O PRO A 20 -1.203 12.154 -4.191 1.00 0.00 O ATOM 330 CB PRO A 20 -3.674 10.740 -5.954 1.00 0.00 C ATOM 331 CG PRO A 20 -4.162 9.436 -6.542 1.00 0.00 C ATOM 332 CD PRO A 20 -3.770 8.433 -5.463 1.00 0.00 C ATOM 0 HA PRO A 20 -1.466 10.524 -5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.367 11.132 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.558 11.509 -6.718 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -5.238 9.446 -6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.684 9.215 -7.497 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.473 8.436 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.736 7.414 -5.848 1.00 0.00 H new ATOM 340 N ASN A 21 -2.647 10.937 -2.994 1.00 0.00 N ATOM 341 CA ASN A 21 -2.484 11.727 -1.786 1.00 0.00 C ATOM 342 C ASN A 21 -1.617 11.062 -0.737 1.00 0.00 C ATOM 343 O ASN A 21 -1.675 11.348 0.460 1.00 0.00 O ATOM 344 CB ASN A 21 -3.883 12.039 -1.228 1.00 0.00 C ATOM 345 CG ASN A 21 -4.673 12.897 -2.192 1.00 0.00 C ATOM 346 OD1 ASN A 21 -4.489 14.103 -2.274 1.00 0.00 O ATOM 347 ND2 ASN A 21 -5.610 12.365 -2.957 1.00 0.00 N ATOM 0 H ASN A 21 -3.283 10.146 -2.892 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.956 12.644 -2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.419 11.109 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.790 12.552 -0.271 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.150 12.957 -3.588 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.793 11.362 -2.917 1.00 0.00 H new ATOM 354 N LEU A 22 -0.775 10.167 -1.220 1.00 0.00 N ATOM 355 CA LEU A 22 0.136 9.456 -0.364 1.00 0.00 C ATOM 356 C LEU A 22 1.576 9.810 -0.706 1.00 0.00 C ATOM 357 O LEU A 22 2.021 9.778 -1.849 1.00 0.00 O ATOM 358 CB LEU A 22 -0.117 7.954 -0.478 1.00 0.00 C ATOM 359 CG LEU A 22 0.663 7.261 0.633 1.00 0.00 C ATOM 360 CD1 LEU A 22 -0.170 6.284 1.476 1.00 0.00 C ATOM 361 CD2 LEU A 22 1.875 6.575 0.025 1.00 0.00 C ATOM 0 H LEU A 22 -0.709 9.919 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.034 9.753 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.182 7.739 -0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.201 7.587 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 22 0.975 8.031 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.461 5.835 2.243 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.991 6.822 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.573 5.501 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.442 6.075 0.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.547 5.840 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.507 7.317 -0.462 1.00 0.00 H new ATOM 373 N ASN A 23 2.287 10.167 0.358 1.00 0.00 N ATOM 374 CA ASN A 23 3.696 10.519 0.346 1.00 0.00 C ATOM 375 C ASN A 23 4.609 9.295 0.290 1.00 0.00 C ATOM 376 O ASN A 23 4.342 8.231 0.863 1.00 0.00 O ATOM 377 CB ASN A 23 3.992 11.367 1.619 1.00 0.00 C ATOM 378 CG ASN A 23 3.555 10.674 2.892 1.00 0.00 C ATOM 379 OD1 ASN A 23 2.404 10.287 3.074 1.00 0.00 O ATOM 380 ND2 ASN A 23 4.469 10.530 3.825 1.00 0.00 N ATOM 0 H ASN A 23 1.877 10.220 1.290 1.00 0.00 H new ATOM 0 HA ASN A 23 3.905 11.091 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.060 11.577 1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.482 12.327 1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.226 10.092 4.714 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.421 10.856 3.661 1.00 0.00 H new ATOM 387 N GLU A 24 5.725 9.480 -0.413 1.00 0.00 N ATOM 388 CA GLU A 24 6.722 8.446 -0.641 1.00 0.00 C ATOM 389 C GLU A 24 7.157 7.697 0.610 1.00 0.00 C ATOM 390 O GLU A 24 7.476 6.513 0.555 1.00 0.00 O ATOM 391 CB GLU A 24 7.904 9.051 -1.419 1.00 0.00 C ATOM 392 CG GLU A 24 7.452 9.921 -2.639 1.00 0.00 C ATOM 393 CD GLU A 24 6.151 9.472 -3.300 1.00 0.00 C ATOM 394 OE1 GLU A 24 5.983 8.288 -3.583 1.00 0.00 O ATOM 395 OE2 GLU A 24 5.280 10.314 -3.503 1.00 0.00 O ATOM 0 H GLU A 24 5.962 10.372 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 24 6.253 7.668 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.500 9.664 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.549 8.247 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.337 10.953 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.245 9.912 -3.387 1.00 0.00 H new ATOM 402 N GLU A 25 7.212 8.336 1.768 1.00 0.00 N ATOM 403 CA GLU A 25 7.561 7.684 3.025 1.00 0.00 C ATOM 404 C GLU A 25 6.550 6.572 3.337 1.00 0.00 C ATOM 405 O GLU A 25 6.901 5.419 3.624 1.00 0.00 O ATOM 406 CB GLU A 25 7.588 8.755 4.134 1.00 0.00 C ATOM 407 CG GLU A 25 8.427 10.007 3.734 1.00 0.00 C ATOM 408 CD GLU A 25 7.587 11.096 3.084 1.00 0.00 C ATOM 409 OE1 GLU A 25 7.007 11.893 3.812 1.00 0.00 O ATOM 410 OE2 GLU A 25 7.488 11.147 1.861 1.00 0.00 O ATOM 0 H GLU A 25 7.014 9.332 1.865 1.00 0.00 H new ATOM 0 HA GLU A 25 8.544 7.218 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.568 9.063 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.001 8.321 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.914 10.411 4.621 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.217 9.705 3.047 1.00 0.00 H new ATOM 417 N GLN A 26 5.254 6.903 3.256 1.00 0.00 N ATOM 418 CA GLN A 26 4.210 5.917 3.480 1.00 0.00 C ATOM 419 C GLN A 26 4.328 4.843 2.398 1.00 0.00 C ATOM 420 O GLN A 26 4.258 3.643 2.657 1.00 0.00 O ATOM 421 CB GLN A 26 2.792 6.551 3.508 1.00 0.00 C ATOM 422 CG GLN A 26 2.558 7.411 4.773 1.00 0.00 C ATOM 423 CD GLN A 26 1.086 7.732 5.000 1.00 0.00 C ATOM 424 OE1 GLN A 26 0.435 7.152 5.856 1.00 0.00 O ATOM 425 NE2 GLN A 26 0.469 8.681 4.330 1.00 0.00 N ATOM 0 H GLN A 26 4.914 7.840 3.038 1.00 0.00 H new ATOM 0 HA GLN A 26 4.347 5.469 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.655 7.169 2.621 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.042 5.761 3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.949 6.884 5.643 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.119 8.341 4.684 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.965 9.198 3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.506 8.900 4.537 1.00 0.00 H new ATOM 434 N ARG A 27 4.535 5.299 1.159 1.00 0.00 N ATOM 435 CA ARG A 27 4.719 4.420 0.008 1.00 0.00 C ATOM 436 C ARG A 27 5.728 3.327 0.312 1.00 0.00 C ATOM 437 O ARG A 27 5.463 2.144 0.143 1.00 0.00 O ATOM 438 CB ARG A 27 5.226 5.249 -1.159 1.00 0.00 C ATOM 439 CG ARG A 27 4.968 4.621 -2.536 1.00 0.00 C ATOM 440 CD ARG A 27 3.643 5.091 -3.124 1.00 0.00 C ATOM 441 NE ARG A 27 3.803 6.494 -3.495 1.00 0.00 N ATOM 442 CZ ARG A 27 2.820 7.278 -3.854 1.00 0.00 C ATOM 443 NH1 ARG A 27 1.638 6.802 -4.089 1.00 0.00 N ATOM 444 NH2 ARG A 27 3.011 8.559 -3.928 1.00 0.00 N ATOM 0 H ARG A 27 4.579 6.292 0.929 1.00 0.00 H new ATOM 0 HA ARG A 27 3.765 3.952 -0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 27 4.753 6.231 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.298 5.407 -1.039 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.781 4.881 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.963 3.535 -2.447 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.375 4.492 -3.994 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.838 4.975 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 27 4.743 6.889 -3.473 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.463 5.802 -3.995 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.882 7.428 -4.368 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.926 8.952 -3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.246 9.173 -4.208 1.00 0.00 H new ATOM 458 N ASN A 28 6.899 3.757 0.769 1.00 0.00 N ATOM 459 CA ASN A 28 7.987 2.868 1.166 1.00 0.00 C ATOM 460 C ASN A 28 7.583 1.938 2.303 1.00 0.00 C ATOM 461 O ASN A 28 7.824 0.735 2.229 1.00 0.00 O ATOM 462 CB ASN A 28 9.218 3.690 1.598 1.00 0.00 C ATOM 463 CG ASN A 28 9.907 4.275 0.385 1.00 0.00 C ATOM 464 OD1 ASN A 28 10.221 3.583 -0.573 1.00 0.00 O ATOM 465 ND2 ASN A 28 10.159 5.563 0.400 1.00 0.00 N ATOM 0 H ASN A 28 7.123 4.746 0.876 1.00 0.00 H new ATOM 0 HA ASN A 28 8.231 2.256 0.298 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.912 4.490 2.272 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.912 3.056 2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.623 6.001 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.890 6.126 1.207 1.00 0.00 H new ATOM 472 N ALA A 29 6.975 2.446 3.375 1.00 0.00 N ATOM 473 CA ALA A 29 6.522 1.591 4.477 1.00 0.00 C ATOM 474 C ALA A 29 5.636 0.443 3.968 1.00 0.00 C ATOM 475 O ALA A 29 5.822 -0.756 4.233 1.00 0.00 O ATOM 476 CB ALA A 29 5.769 2.500 5.461 1.00 0.00 C ATOM 0 H ALA A 29 6.785 3.440 3.506 1.00 0.00 H new ATOM 0 HA ALA A 29 7.368 1.113 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.411 1.907 6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.441 3.278 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.921 2.961 4.955 1.00 0.00 H new ATOM 482 N PHE A 30 4.651 0.871 3.180 1.00 0.00 N ATOM 483 CA PHE A 30 3.722 -0.045 2.546 1.00 0.00 C ATOM 484 C PHE A 30 4.493 -0.994 1.633 1.00 0.00 C ATOM 485 O PHE A 30 4.259 -2.184 1.710 1.00 0.00 O ATOM 486 CB PHE A 30 2.588 0.749 1.852 1.00 0.00 C ATOM 487 CG PHE A 30 1.745 1.397 2.968 1.00 0.00 C ATOM 488 CD1 PHE A 30 1.081 0.495 3.808 1.00 0.00 C ATOM 489 CD2 PHE A 30 1.570 2.771 3.240 1.00 0.00 C ATOM 490 CE1 PHE A 30 0.278 0.886 4.879 1.00 0.00 C ATOM 491 CE2 PHE A 30 0.761 3.188 4.321 1.00 0.00 C ATOM 492 CZ PHE A 30 0.120 2.241 5.139 1.00 0.00 C ATOM 0 H PHE A 30 4.480 1.854 2.968 1.00 0.00 H new ATOM 0 HA PHE A 30 3.223 -0.676 3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.000 1.509 1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.974 0.089 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.197 -0.561 3.616 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.057 3.508 2.618 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.213 0.148 5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.634 4.242 4.520 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.493 2.566 5.967 1.00 0.00 H new ATOM 502 N ILE A 31 5.405 -0.548 0.770 1.00 0.00 N ATOM 503 CA ILE A 31 6.223 -1.410 -0.089 1.00 0.00 C ATOM 504 C ILE A 31 7.010 -2.444 0.730 1.00 0.00 C ATOM 505 O ILE A 31 7.132 -3.610 0.357 1.00 0.00 O ATOM 506 CB ILE A 31 7.135 -0.477 -0.915 1.00 0.00 C ATOM 507 CG1 ILE A 31 6.281 0.181 -2.026 1.00 0.00 C ATOM 508 CG2 ILE A 31 8.376 -1.174 -1.502 1.00 0.00 C ATOM 509 CD1 ILE A 31 6.919 1.436 -2.641 1.00 0.00 C ATOM 0 H ILE A 31 5.602 0.445 0.644 1.00 0.00 H new ATOM 0 HA ILE A 31 5.599 -2.004 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 31 7.537 0.279 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.105 -0.549 -2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.307 0.445 -1.614 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.965 -0.452 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.982 -1.581 -0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.061 -1.983 -2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.261 1.839 -3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.070 2.185 -1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 31 7.880 1.175 -3.085 1.00 0.00 H new ATOM 521 N GLN A 32 7.558 -2.054 1.878 1.00 0.00 N ATOM 522 CA GLN A 32 8.279 -2.906 2.791 1.00 0.00 C ATOM 523 C GLN A 32 7.402 -4.064 3.285 1.00 0.00 C ATOM 524 O GLN A 32 7.729 -5.260 3.153 1.00 0.00 O ATOM 525 CB GLN A 32 8.761 -1.838 3.814 1.00 0.00 C ATOM 526 CG GLN A 32 8.859 -2.253 5.237 1.00 0.00 C ATOM 527 CD GLN A 32 9.561 -3.560 5.501 1.00 0.00 C ATOM 528 OE1 GLN A 32 10.764 -3.725 5.334 1.00 0.00 O ATOM 529 NE2 GLN A 32 8.779 -4.542 5.890 1.00 0.00 N ATOM 0 H GLN A 32 7.503 -1.089 2.203 1.00 0.00 H new ATOM 0 HA GLN A 32 9.120 -3.483 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.743 -1.486 3.497 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.083 -0.986 3.757 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.377 -1.468 5.788 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.851 -2.317 5.646 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.781 -4.378 6.022 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.170 -5.468 6.060 1.00 0.00 H new ATOM 538 N SER A 33 6.251 -3.709 3.862 1.00 0.00 N ATOM 539 CA SER A 33 5.329 -4.756 4.305 1.00 0.00 C ATOM 540 C SER A 33 4.787 -5.494 3.078 1.00 0.00 C ATOM 541 O SER A 33 4.474 -6.667 3.119 1.00 0.00 O ATOM 542 CB SER A 33 4.205 -4.158 5.163 1.00 0.00 C ATOM 543 OG SER A 33 3.225 -5.124 5.548 1.00 0.00 O ATOM 0 H SER A 33 5.945 -2.750 4.028 1.00 0.00 H new ATOM 0 HA SER A 33 5.855 -5.474 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.637 -3.710 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.719 -3.356 4.608 1.00 0.00 H new ATOM 0 HG SER A 33 3.673 -5.936 5.865 1.00 0.00 H new ATOM 549 N LEU A 34 4.667 -4.847 1.920 1.00 0.00 N ATOM 550 CA LEU A 34 4.208 -5.468 0.676 1.00 0.00 C ATOM 551 C LEU A 34 5.087 -6.647 0.294 1.00 0.00 C ATOM 552 O LEU A 34 4.608 -7.725 -0.046 1.00 0.00 O ATOM 553 CB LEU A 34 4.235 -4.415 -0.462 1.00 0.00 C ATOM 554 CG LEU A 34 2.917 -4.255 -1.219 1.00 0.00 C ATOM 555 CD1 LEU A 34 2.550 -5.514 -1.976 1.00 0.00 C ATOM 556 CD2 LEU A 34 1.752 -3.968 -0.289 1.00 0.00 C ATOM 0 H LEU A 34 4.890 -3.857 1.817 1.00 0.00 H new ATOM 0 HA LEU A 34 3.192 -5.833 0.828 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.514 -3.450 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.015 -4.689 -1.173 1.00 0.00 H new ATOM 0 HG LEU A 34 3.082 -3.419 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.607 -5.361 -2.501 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.334 -5.746 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.445 -6.342 -1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.838 -3.862 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.639 -4.791 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.942 -3.044 0.258 1.00 0.00 H new ATOM 568 N LYS A 35 6.402 -6.419 0.329 1.00 0.00 N ATOM 569 CA LYS A 35 7.352 -7.477 0.041 1.00 0.00 C ATOM 570 C LYS A 35 7.342 -8.553 1.137 1.00 0.00 C ATOM 571 O LYS A 35 7.332 -9.742 0.819 1.00 0.00 O ATOM 572 CB LYS A 35 8.781 -6.925 -0.186 1.00 0.00 C ATOM 573 CG LYS A 35 9.355 -6.226 1.033 1.00 0.00 C ATOM 574 CD LYS A 35 10.878 -6.069 1.006 1.00 0.00 C ATOM 575 CE LYS A 35 11.355 -5.301 2.248 1.00 0.00 C ATOM 576 NZ LYS A 35 10.617 -5.754 3.418 1.00 0.00 N ATOM 0 H LYS A 35 6.823 -5.517 0.553 1.00 0.00 H new ATOM 0 HA LYS A 35 7.034 -7.946 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.440 -7.746 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.765 -6.227 -1.023 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.901 -5.239 1.120 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.074 -6.786 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.351 -7.050 0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.180 -5.538 0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.423 -5.458 2.397 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.207 -4.231 2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.954 -5.244 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.603 -5.567 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.766 -6.775 3.549 1.00 0.00 H new ATOM 590 N ASP A 36 7.348 -8.180 2.430 1.00 0.00 N ATOM 591 CA ASP A 36 7.388 -9.192 3.498 1.00 0.00 C ATOM 592 C ASP A 36 6.089 -9.977 3.783 1.00 0.00 C ATOM 593 O ASP A 36 6.113 -11.165 4.117 1.00 0.00 O ATOM 594 CB ASP A 36 7.925 -8.496 4.792 1.00 0.00 C ATOM 595 CG ASP A 36 9.385 -8.074 4.696 1.00 0.00 C ATOM 596 OD1 ASP A 36 10.128 -8.545 3.833 1.00 0.00 O ATOM 597 OD2 ASP A 36 9.791 -7.202 5.462 1.00 0.00 O ATOM 0 H ASP A 36 7.326 -7.213 2.753 1.00 0.00 H new ATOM 0 HA ASP A 36 8.050 -9.979 3.137 1.00 0.00 H new ATOM 0 HB2 ASP A 36 7.315 -7.618 5.002 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.807 -9.176 5.636 1.00 0.00 H new ATOM 602 N ASP A 37 4.929 -9.342 3.655 1.00 0.00 N ATOM 603 CA ASP A 37 3.605 -9.894 3.924 1.00 0.00 C ATOM 604 C ASP A 37 2.764 -10.254 2.679 1.00 0.00 C ATOM 605 O ASP A 37 2.232 -9.368 2.004 1.00 0.00 O ATOM 606 CB ASP A 37 2.927 -8.814 4.802 1.00 0.00 C ATOM 607 CG ASP A 37 3.558 -8.736 6.174 1.00 0.00 C ATOM 608 OD1 ASP A 37 3.499 -9.729 6.903 1.00 0.00 O ATOM 609 OD2 ASP A 37 4.066 -7.664 6.501 1.00 0.00 O ATOM 0 H ASP A 37 4.885 -8.372 3.343 1.00 0.00 H new ATOM 0 HA ASP A 37 3.692 -10.865 4.411 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.003 -7.844 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.865 -9.039 4.901 1.00 0.00 H new ATOM 614 N PRO A 38 2.561 -11.535 2.316 1.00 0.00 N ATOM 615 CA PRO A 38 1.807 -11.921 1.116 1.00 0.00 C ATOM 616 C PRO A 38 0.290 -11.667 1.097 1.00 0.00 C ATOM 617 O PRO A 38 -0.143 -10.548 0.792 1.00 0.00 O ATOM 618 CB PRO A 38 2.178 -13.404 0.956 1.00 0.00 C ATOM 619 CG PRO A 38 2.379 -13.855 2.393 1.00 0.00 C ATOM 620 CD PRO A 38 3.169 -12.688 2.978 1.00 0.00 C ATOM 0 HA PRO A 38 2.084 -11.280 0.279 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.387 -13.968 0.461 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.082 -13.533 0.361 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.432 -14.008 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 38 2.930 -14.793 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.070 -12.633 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.234 -12.768 2.759 1.00 0.00 H new ATOM 628 N SER A 39 -0.597 -12.621 1.406 1.00 0.00 N ATOM 629 CA SER A 39 -2.045 -12.371 1.330 1.00 0.00 C ATOM 630 C SER A 39 -2.572 -11.252 2.217 1.00 0.00 C ATOM 631 O SER A 39 -3.592 -10.621 1.935 1.00 0.00 O ATOM 632 CB SER A 39 -2.852 -13.662 1.555 1.00 0.00 C ATOM 633 OG SER A 39 -2.918 -14.350 0.309 1.00 0.00 O ATOM 0 H SER A 39 -0.344 -13.562 1.707 1.00 0.00 H new ATOM 0 HA SER A 39 -2.193 -12.014 0.311 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.375 -14.285 2.312 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.853 -13.430 1.918 1.00 0.00 H new ATOM 0 HG SER A 39 -3.308 -13.761 -0.370 1.00 0.00 H new ATOM 639 N GLN A 40 -1.880 -10.997 3.320 1.00 0.00 N ATOM 640 CA GLN A 40 -2.237 -9.925 4.232 1.00 0.00 C ATOM 641 C GLN A 40 -1.976 -8.538 3.621 1.00 0.00 C ATOM 642 O GLN A 40 -2.432 -7.518 4.144 1.00 0.00 O ATOM 643 CB GLN A 40 -1.470 -10.154 5.554 1.00 0.00 C ATOM 644 CG GLN A 40 0.060 -10.256 5.349 1.00 0.00 C ATOM 645 CD GLN A 40 0.633 -11.668 5.276 1.00 0.00 C ATOM 646 OE1 GLN A 40 0.143 -12.551 4.575 1.00 0.00 O ATOM 647 NE2 GLN A 40 1.727 -11.930 5.966 1.00 0.00 N ATOM 0 H GLN A 40 -1.057 -11.528 3.605 1.00 0.00 H new ATOM 0 HA GLN A 40 -3.308 -9.943 4.432 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.686 -9.336 6.241 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.831 -11.069 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.319 -9.732 4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.552 -9.728 6.166 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.145 -11.208 6.552 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.154 -12.855 5.913 1.00 0.00 H new ATOM 656 N SER A 41 -1.250 -8.451 2.492 1.00 0.00 N ATOM 657 CA SER A 41 -1.013 -7.160 1.835 1.00 0.00 C ATOM 658 C SER A 41 -2.332 -6.461 1.498 1.00 0.00 C ATOM 659 O SER A 41 -2.395 -5.240 1.341 1.00 0.00 O ATOM 660 CB SER A 41 -0.178 -7.301 0.553 1.00 0.00 C ATOM 661 OG SER A 41 -0.857 -8.144 -0.365 1.00 0.00 O ATOM 0 H SER A 41 -0.824 -9.250 2.023 1.00 0.00 H new ATOM 0 HA SER A 41 -0.450 -6.556 2.547 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.009 -6.321 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.802 -7.717 0.789 1.00 0.00 H new ATOM 0 HG SER A 41 -0.717 -9.081 -0.114 1.00 0.00 H new ATOM 667 N ALA A 42 -3.434 -7.211 1.379 1.00 0.00 N ATOM 668 CA ALA A 42 -4.734 -6.616 1.119 1.00 0.00 C ATOM 669 C ALA A 42 -5.083 -5.608 2.220 1.00 0.00 C ATOM 670 O ALA A 42 -5.585 -4.509 1.977 1.00 0.00 O ATOM 671 CB ALA A 42 -5.759 -7.757 1.075 1.00 0.00 C ATOM 0 H ALA A 42 -3.443 -8.228 1.460 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.733 -6.076 0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.751 -7.348 0.881 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.493 -8.455 0.281 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.763 -8.280 2.031 1.00 0.00 H new ATOM 677 N ASN A 43 -4.781 -5.979 3.469 1.00 0.00 N ATOM 678 CA ASN A 43 -5.019 -5.108 4.610 1.00 0.00 C ATOM 679 C ASN A 43 -4.064 -3.927 4.510 1.00 0.00 C ATOM 680 O ASN A 43 -4.445 -2.775 4.650 1.00 0.00 O ATOM 681 CB ASN A 43 -4.779 -5.892 5.922 1.00 0.00 C ATOM 682 CG ASN A 43 -5.626 -7.149 5.962 1.00 0.00 C ATOM 683 OD1 ASN A 43 -5.362 -8.117 5.258 1.00 0.00 O ATOM 684 ND2 ASN A 43 -6.667 -7.227 6.770 1.00 0.00 N ATOM 0 H ASN A 43 -4.370 -6.881 3.709 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.048 -4.750 4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.725 -6.156 6.005 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.018 -5.260 6.777 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.229 -8.078 6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.910 -6.436 7.367 1.00 0.00 H new ATOM 691 N LEU A 44 -2.794 -4.213 4.242 1.00 0.00 N ATOM 692 CA LEU A 44 -1.768 -3.190 4.068 1.00 0.00 C ATOM 693 C LEU A 44 -2.113 -2.178 2.958 1.00 0.00 C ATOM 694 O LEU A 44 -1.741 -1.003 2.982 1.00 0.00 O ATOM 695 CB LEU A 44 -0.489 -3.974 3.758 1.00 0.00 C ATOM 696 CG LEU A 44 0.768 -3.148 3.545 1.00 0.00 C ATOM 697 CD1 LEU A 44 1.261 -2.591 4.890 1.00 0.00 C ATOM 698 CD2 LEU A 44 1.811 -4.078 2.974 1.00 0.00 C ATOM 0 H LEU A 44 -2.445 -5.166 4.139 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.666 -2.572 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.307 -4.670 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.662 -4.572 2.863 1.00 0.00 H new ATOM 0 HG LEU A 44 0.574 -2.310 2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.163 -2.000 4.730 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.487 -1.961 5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.484 -3.417 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.736 -3.527 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.997 -4.891 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.454 -4.489 2.030 1.00 0.00 H new ATOM 710 N LEU A 45 -2.879 -2.643 1.974 1.00 0.00 N ATOM 711 CA LEU A 45 -3.287 -1.865 0.811 1.00 0.00 C ATOM 712 C LEU A 45 -4.426 -0.973 1.239 1.00 0.00 C ATOM 713 O LEU A 45 -4.420 0.236 1.032 1.00 0.00 O ATOM 714 CB LEU A 45 -3.720 -2.754 -0.373 1.00 0.00 C ATOM 715 CG LEU A 45 -4.381 -1.943 -1.519 1.00 0.00 C ATOM 716 CD1 LEU A 45 -3.473 -0.816 -2.053 1.00 0.00 C ATOM 717 CD2 LEU A 45 -4.901 -2.863 -2.639 1.00 0.00 C ATOM 0 H LEU A 45 -3.242 -3.596 1.965 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.437 -1.281 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.850 -3.283 -0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.420 -3.510 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.249 -1.443 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.987 -0.283 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.241 -0.122 -1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.549 -1.246 -2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.357 -2.259 -3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.071 -3.433 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.644 -3.549 -2.231 1.00 0.00 H new ATOM 729 N ALA A 46 -5.420 -1.610 1.859 1.00 0.00 N ATOM 730 CA ALA A 46 -6.565 -0.889 2.387 1.00 0.00 C ATOM 731 C ALA A 46 -6.045 0.200 3.324 1.00 0.00 C ATOM 732 O ALA A 46 -6.576 1.308 3.402 1.00 0.00 O ATOM 733 CB ALA A 46 -7.458 -1.896 3.133 1.00 0.00 C ATOM 0 H ALA A 46 -5.450 -2.619 2.005 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.153 -0.419 1.599 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.327 -1.379 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.788 -2.672 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.892 -2.351 3.946 1.00 0.00 H new ATOM 739 N GLU A 47 -4.949 -0.122 4.017 1.00 0.00 N ATOM 740 CA GLU A 47 -4.315 0.837 4.915 1.00 0.00 C ATOM 741 C GLU A 47 -3.737 2.035 4.184 1.00 0.00 C ATOM 742 O GLU A 47 -4.122 3.180 4.416 1.00 0.00 O ATOM 743 CB GLU A 47 -3.191 0.133 5.723 1.00 0.00 C ATOM 744 CG GLU A 47 -3.677 -0.620 6.978 1.00 0.00 C ATOM 745 CD GLU A 47 -4.128 0.376 8.031 1.00 0.00 C ATOM 746 OE1 GLU A 47 -3.289 1.090 8.587 1.00 0.00 O ATOM 747 OE2 GLU A 47 -5.325 0.505 8.275 1.00 0.00 O ATOM 0 H GLU A 47 -4.489 -1.031 3.972 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.091 1.209 5.583 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.678 -0.572 5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.457 0.880 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.500 -1.286 6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.875 -1.243 7.373 1.00 0.00 H new ATOM 754 N ALA A 48 -2.790 1.788 3.288 1.00 0.00 N ATOM 755 CA ALA A 48 -2.203 2.867 2.505 1.00 0.00 C ATOM 756 C ALA A 48 -3.251 3.734 1.826 1.00 0.00 C ATOM 757 O ALA A 48 -3.163 4.962 1.796 1.00 0.00 O ATOM 758 CB ALA A 48 -1.281 2.214 1.467 1.00 0.00 C ATOM 0 H ALA A 48 -2.415 0.861 3.087 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.650 3.537 3.164 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.817 2.987 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.506 1.642 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.864 1.548 0.830 1.00 0.00 H new ATOM 764 N LYS A 49 -4.274 3.075 1.282 1.00 0.00 N ATOM 765 CA LYS A 49 -5.364 3.785 0.650 1.00 0.00 C ATOM 766 C LYS A 49 -6.103 4.659 1.656 1.00 0.00 C ATOM 767 O LYS A 49 -6.326 5.843 1.416 1.00 0.00 O ATOM 768 CB LYS A 49 -6.290 2.757 -0.013 1.00 0.00 C ATOM 769 CG LYS A 49 -7.438 3.404 -0.816 1.00 0.00 C ATOM 770 CD LYS A 49 -6.897 4.440 -1.832 1.00 0.00 C ATOM 771 CE LYS A 49 -7.952 4.964 -2.806 1.00 0.00 C ATOM 772 NZ LYS A 49 -9.092 5.472 -2.062 1.00 0.00 N ATOM 0 H LYS A 49 -4.363 2.059 1.270 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.979 4.460 -0.114 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.703 2.123 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -6.712 2.109 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.997 2.631 -1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -8.134 3.890 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.472 5.282 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.085 3.986 -2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -7.528 5.754 -3.426 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.269 4.167 -3.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.763 5.920 -2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.562 4.687 -1.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -8.768 6.174 -1.366 1.00 0.00 H new ATOM 786 N LYS A 50 -6.451 4.121 2.835 1.00 0.00 N ATOM 787 CA LYS A 50 -7.205 4.886 3.822 1.00 0.00 C ATOM 788 C LYS A 50 -6.367 6.067 4.283 1.00 0.00 C ATOM 789 O LYS A 50 -6.872 7.158 4.552 1.00 0.00 O ATOM 790 CB LYS A 50 -7.706 3.937 4.953 1.00 0.00 C ATOM 791 CG LYS A 50 -7.438 4.322 6.420 1.00 0.00 C ATOM 792 CD LYS A 50 -6.187 3.599 6.939 1.00 0.00 C ATOM 793 CE LYS A 50 -5.843 4.051 8.360 1.00 0.00 C ATOM 794 NZ LYS A 50 -4.724 3.268 8.850 1.00 0.00 N ATOM 0 H LYS A 50 -6.222 3.169 3.120 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.110 5.317 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.783 3.822 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.260 2.957 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.303 5.401 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.299 4.061 7.035 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.353 2.522 6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.345 3.799 6.276 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.591 5.112 8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.706 3.924 9.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.170 3.837 9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.080 2.416 9.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.120 2.989 8.051 1.00 0.00 H new ATOM 808 N LEU A 51 -5.054 5.859 4.370 1.00 0.00 N ATOM 809 CA LEU A 51 -4.175 6.949 4.742 1.00 0.00 C ATOM 810 C LEU A 51 -4.207 8.012 3.645 1.00 0.00 C ATOM 811 O LEU A 51 -4.483 9.182 3.891 1.00 0.00 O ATOM 812 CB LEU A 51 -2.781 6.380 5.027 1.00 0.00 C ATOM 813 CG LEU A 51 -2.823 5.699 6.403 1.00 0.00 C ATOM 814 CD1 LEU A 51 -1.776 4.598 6.488 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.640 6.747 7.511 1.00 0.00 C ATOM 0 H LEU A 51 -4.591 4.968 4.192 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.502 7.445 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.496 5.665 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.035 7.175 5.017 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.797 5.230 6.542 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.822 4.128 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.970 3.851 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.785 5.026 6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.671 6.257 8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.678 7.245 7.386 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.441 7.484 7.450 1.00 0.00 H new ATOM 827 N ASN A 52 -3.988 7.600 2.395 1.00 0.00 N ATOM 828 CA ASN A 52 -3.999 8.477 1.229 1.00 0.00 C ATOM 829 C ASN A 52 -5.224 9.394 1.257 1.00 0.00 C ATOM 830 O ASN A 52 -5.167 10.609 1.093 1.00 0.00 O ATOM 831 CB ASN A 52 -3.987 7.534 -0.002 1.00 0.00 C ATOM 832 CG ASN A 52 -4.363 8.195 -1.317 1.00 0.00 C ATOM 833 OD1 ASN A 52 -3.546 8.395 -2.205 1.00 0.00 O ATOM 834 ND2 ASN A 52 -5.607 8.550 -1.558 1.00 0.00 N ATOM 0 H ASN A 52 -3.794 6.626 2.163 1.00 0.00 H new ATOM 0 HA ASN A 52 -3.139 9.146 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.991 7.102 -0.101 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.675 6.709 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.853 8.971 -2.454 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -6.326 8.404 -0.849 1.00 0.00 H new ATOM 841 N ASP A 53 -6.348 8.734 1.495 1.00 0.00 N ATOM 842 CA ASP A 53 -7.645 9.388 1.619 1.00 0.00 C ATOM 843 C ASP A 53 -7.643 10.386 2.776 1.00 0.00 C ATOM 844 O ASP A 53 -8.105 11.521 2.630 1.00 0.00 O ATOM 845 CB ASP A 53 -8.738 8.302 1.762 1.00 0.00 C ATOM 846 CG ASP A 53 -8.853 7.436 0.516 1.00 0.00 C ATOM 847 OD1 ASP A 53 -7.927 7.368 -0.287 1.00 0.00 O ATOM 848 OD2 ASP A 53 -9.877 6.797 0.317 1.00 0.00 O ATOM 0 H ASP A 53 -6.387 7.721 1.609 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.861 9.970 0.723 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.511 7.671 2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.698 8.779 1.961 1.00 0.00 H new ATOM 853 N ALA A 54 -7.132 9.997 3.949 1.00 0.00 N ATOM 854 CA ALA A 54 -7.034 10.906 5.085 1.00 0.00 C ATOM 855 C ALA A 54 -6.259 12.170 4.691 1.00 0.00 C ATOM 856 O ALA A 54 -6.670 13.291 4.998 1.00 0.00 O ATOM 857 CB ALA A 54 -6.370 10.165 6.259 1.00 0.00 C ATOM 0 H ALA A 54 -6.781 9.057 4.132 1.00 0.00 H new ATOM 0 HA ALA A 54 -8.028 11.227 5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.291 10.836 7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.974 9.299 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -5.374 9.835 5.964 1.00 0.00 H new ATOM 863 N GLN A 55 -5.140 11.981 3.984 1.00 0.00 N ATOM 864 CA GLN A 55 -4.308 13.068 3.485 1.00 0.00 C ATOM 865 C GLN A 55 -4.911 13.901 2.351 1.00 0.00 C ATOM 866 O GLN A 55 -4.519 15.047 2.140 1.00 0.00 O ATOM 867 CB GLN A 55 -2.976 12.499 3.034 1.00 0.00 C ATOM 868 CG GLN A 55 -2.136 11.893 4.185 1.00 0.00 C ATOM 869 CD GLN A 55 -1.973 10.414 4.148 1.00 0.00 C ATOM 870 OE1 GLN A 55 -2.119 9.680 5.120 1.00 0.00 O ATOM 871 NE2 GLN A 55 -1.532 9.969 3.002 1.00 0.00 N ATOM 0 H GLN A 55 -4.787 11.055 3.742 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.204 13.761 4.320 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.155 11.730 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.399 13.288 2.551 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.147 12.351 4.170 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.599 12.167 5.133 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.423 10.608 2.215 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.297 8.982 2.894 1.00 0.00 H new ATOM 880 N ALA A 56 -5.861 13.350 1.601 1.00 0.00 N ATOM 881 CA ALA A 56 -6.521 14.042 0.495 1.00 0.00 C ATOM 882 C ALA A 56 -7.323 15.302 0.873 1.00 0.00 C ATOM 883 O ALA A 56 -7.537 15.600 2.048 1.00 0.00 O ATOM 884 CB ALA A 56 -7.432 12.989 -0.176 1.00 0.00 C ATOM 0 H ALA A 56 -6.199 12.399 1.745 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.751 14.436 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.957 13.444 -1.016 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.825 12.158 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.158 12.621 0.549 1.00 0.00 H new ATOM 890 N PRO A 57 -7.752 16.143 -0.080 1.00 0.00 N ATOM 891 CA PRO A 57 -8.565 17.333 0.206 1.00 0.00 C ATOM 892 C PRO A 57 -10.050 17.023 0.435 1.00 0.00 C ATOM 893 O PRO A 57 -10.596 16.075 -0.131 1.00 0.00 O ATOM 894 CB PRO A 57 -8.309 18.218 -1.015 1.00 0.00 C ATOM 895 CG PRO A 57 -8.188 17.185 -2.123 1.00 0.00 C ATOM 896 CD PRO A 57 -7.330 16.094 -1.480 1.00 0.00 C ATOM 0 HA PRO A 57 -8.290 17.815 1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.127 18.916 -1.193 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.401 18.811 -0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.163 16.805 -2.429 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.714 17.600 -3.012 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.515 15.117 -1.926 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.265 16.298 -1.590 1.00 0.00 H new ATOM 904 N LYS A 58 -10.736 17.800 1.280 1.00 0.00 N ATOM 905 CA LYS A 58 -12.162 17.621 1.535 1.00 0.00 C ATOM 906 C LYS A 58 -12.875 18.925 1.910 1.00 0.00 C ATOM 907 O LYS A 58 -14.098 18.977 1.773 1.00 0.00 O ATOM 908 CB LYS A 58 -12.427 16.514 2.590 1.00 0.00 C ATOM 909 CG LYS A 58 -11.667 16.660 3.929 1.00 0.00 C ATOM 910 CD LYS A 58 -10.260 16.019 3.931 1.00 0.00 C ATOM 911 CE LYS A 58 -10.296 14.482 3.788 1.00 0.00 C ATOM 912 NZ LYS A 58 -8.933 13.971 3.839 1.00 0.00 N ATOM 913 OXT LYS A 58 -12.230 19.889 2.330 1.00 0.00 O ATOM 0 H LYS A 58 -10.316 18.568 1.803 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.592 17.293 0.589 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.496 16.490 2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.167 15.551 2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.572 17.720 4.166 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.261 16.208 4.723 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.674 16.441 3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.749 16.280 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.893 14.043 4.587 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.768 14.202 2.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.905 13.014 3.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.307 14.597 3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.612 13.936 4.828 1.00 0.00 H new TER 927 LYS A 58