USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 560 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 25 ASN : amide:sc= 0.0347 X(o=0.077,f=0) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0.042 USER MOD Set 2.1: A 14 GLN : amide:sc= 0.915 K(o=2.7,f=0.97) USER MOD Set 2.2: A 17 GLN : amide:sc= 1.76 K(o=2.7,f=-0.097) USER MOD Set 3.1: A 11 ASN : amide:sc= 1.62 K(o=2.6,f=-0.25) USER MOD Set 3.2: A 12 GLN : amide:sc= 0.974 K(o=2.6,f=0.75) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0.498 K(o=0.5,f=-4!) USER MOD Single : A 18 MET CE :methyl 174:sc= 0 (180deg=-0.0328) USER MOD Single : A 20 GLN : amide:sc= 1.98 K(o=2,f=-0.25) USER MOD Single : A 23 GLN : amide:sc= 1.04 K(o=1,f=-0.45) USER MOD Single : A 24 GLN : amide:sc= 0.807 K(o=0.81,f=0) USER MOD Single : A 34 GLN : amide:sc= 0.161 X(o=0.16,f=0) USER MOD Single : A 35 GLN : amide:sc= 0.933 K(o=0.93,f=-0.22) USER MOD Single : A 40 ASN : amide:sc= 0.139 K(o=0.14,f=-5.1!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.16) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 48 SER OG : rot 69:sc= 0.00535 USER MOD Single : A 49 GLN : amide:sc= 0.699 K(o=0.7,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 57 MET CE :methyl 178:sc= 0 (180deg=-0.00609) USER MOD Single : A 59 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.758 -21.235 1.208 1.00 10.00 N ATOM 2 CA GLY A 1 10.799 -20.226 0.709 1.00 10.00 C ATOM 3 C GLY A 1 11.205 -18.825 1.140 1.00 10.00 C ATOM 4 O GLY A 1 12.372 -18.449 1.009 1.00 10.00 O ATOM 0 H1 GLY A 1 11.458 -22.182 0.900 1.00 10.00 H new ATOM 0 H2 GLY A 1 12.705 -21.032 0.829 1.00 10.00 H new ATOM 0 H3 GLY A 1 11.787 -21.202 2.247 1.00 10.00 H new ATOM 0 HA2 GLY A 1 10.748 -20.275 -0.379 1.00 10.00 H new ATOM 0 HA3 GLY A 1 9.801 -20.451 1.085 1.00 10.00 H new ATOM 10 N SER A 2 10.252 -18.040 1.651 1.00 10.00 N ATOM 11 CA SER A 2 10.486 -16.704 2.230 1.00 10.00 C ATOM 12 C SER A 2 11.323 -16.735 3.523 1.00 10.00 C ATOM 13 O SER A 2 11.522 -17.785 4.145 1.00 10.00 O ATOM 14 CB SER A 2 9.139 -16.006 2.479 1.00 10.00 C ATOM 15 OG SER A 2 8.300 -16.799 3.308 1.00 10.00 O ATOM 0 H SER A 2 9.271 -18.318 1.676 1.00 10.00 H new ATOM 0 HA SER A 2 11.072 -16.141 1.504 1.00 10.00 H new ATOM 0 HB2 SER A 2 9.309 -15.037 2.948 1.00 10.00 H new ATOM 0 HB3 SER A 2 8.642 -15.817 1.528 1.00 10.00 H new ATOM 0 HG SER A 2 7.450 -16.334 3.454 1.00 10.00 H new ATOM 21 N HIS A 3 11.804 -15.561 3.941 1.00 10.00 N ATOM 22 CA HIS A 3 12.654 -15.341 5.120 1.00 10.00 C ATOM 23 C HIS A 3 12.248 -14.087 5.929 1.00 10.00 C ATOM 24 O HIS A 3 12.572 -13.978 7.115 1.00 10.00 O ATOM 25 CB HIS A 3 14.109 -15.236 4.626 1.00 10.00 C ATOM 26 CG HIS A 3 15.134 -15.070 5.720 1.00 10.00 C ATOM 27 ND1 HIS A 3 15.628 -16.063 6.537 1.00 10.00 N ATOM 28 CD2 HIS A 3 15.761 -13.906 6.079 1.00 10.00 C ATOM 29 CE1 HIS A 3 16.527 -15.514 7.370 1.00 10.00 C ATOM 30 NE2 HIS A 3 16.646 -14.195 7.128 1.00 10.00 N ATOM 0 H HIS A 3 11.603 -14.694 3.443 1.00 10.00 H new ATOM 0 HA HIS A 3 12.535 -16.178 5.808 1.00 10.00 H new ATOM 0 HB2 HIS A 3 14.350 -16.132 4.054 1.00 10.00 H new ATOM 0 HB3 HIS A 3 14.186 -14.391 3.942 1.00 10.00 H new ATOM 0 HD2 HIS A 3 15.602 -12.936 5.632 1.00 10.00 H new ATOM 0 HE1 HIS A 3 17.077 -16.054 8.127 1.00 10.00 H new ATOM 0 HE2 HIS A 3 17.258 -13.537 7.611 1.00 10.00 H new ATOM 38 N MET A 4 11.515 -13.155 5.315 1.00 10.00 N ATOM 39 CA MET A 4 11.102 -11.861 5.882 1.00 10.00 C ATOM 40 C MET A 4 9.735 -11.423 5.303 1.00 10.00 C ATOM 41 O MET A 4 9.321 -11.949 4.263 1.00 10.00 O ATOM 42 CB MET A 4 12.224 -10.828 5.628 1.00 10.00 C ATOM 43 CG MET A 4 12.782 -10.830 4.199 1.00 10.00 C ATOM 44 SD MET A 4 14.012 -9.536 3.881 1.00 10.00 S ATOM 45 CE MET A 4 14.496 -10.008 2.197 1.00 10.00 C ATOM 0 H MET A 4 11.175 -13.285 4.362 1.00 10.00 H new ATOM 0 HA MET A 4 10.958 -11.945 6.959 1.00 10.00 H new ATOM 0 HB2 MET A 4 11.841 -9.833 5.853 1.00 10.00 H new ATOM 0 HB3 MET A 4 13.041 -11.020 6.323 1.00 10.00 H new ATOM 0 HG2 MET A 4 13.233 -11.802 3.998 1.00 10.00 H new ATOM 0 HG3 MET A 4 11.956 -10.711 3.498 1.00 10.00 H new ATOM 0 HE1 MET A 4 15.255 -9.317 1.829 1.00 10.00 H new ATOM 0 HE2 MET A 4 14.900 -11.020 2.205 1.00 10.00 H new ATOM 0 HE3 MET A 4 13.624 -9.970 1.544 1.00 10.00 H new ATOM 55 N PRO A 5 8.990 -10.496 5.942 1.00 10.00 N ATOM 56 CA PRO A 5 7.658 -10.114 5.467 1.00 10.00 C ATOM 57 C PRO A 5 7.714 -9.334 4.144 1.00 10.00 C ATOM 58 O PRO A 5 8.728 -8.722 3.798 1.00 10.00 O ATOM 59 CB PRO A 5 7.039 -9.293 6.604 1.00 10.00 C ATOM 60 CG PRO A 5 8.253 -8.678 7.292 1.00 10.00 C ATOM 61 CD PRO A 5 9.296 -9.791 7.182 1.00 10.00 C ATOM 0 HA PRO A 5 7.051 -10.990 5.237 1.00 10.00 H new ATOM 0 HB2 PRO A 5 6.361 -8.528 6.225 1.00 10.00 H new ATOM 0 HB3 PRO A 5 6.464 -9.919 7.286 1.00 10.00 H new ATOM 0 HG2 PRO A 5 8.581 -7.764 6.796 1.00 10.00 H new ATOM 0 HG3 PRO A 5 8.043 -8.420 8.330 1.00 10.00 H new ATOM 0 HD2 PRO A 5 10.306 -9.381 7.161 1.00 10.00 H new ATOM 0 HD3 PRO A 5 9.243 -10.463 8.038 1.00 10.00 H new ATOM 69 N LEU A 6 6.591 -9.319 3.418 1.00 10.00 N ATOM 70 CA LEU A 6 6.353 -8.492 2.221 1.00 10.00 C ATOM 71 C LEU A 6 7.353 -8.682 1.058 1.00 10.00 C ATOM 72 O LEU A 6 7.432 -7.846 0.158 1.00 10.00 O ATOM 73 CB LEU A 6 6.199 -7.017 2.652 1.00 10.00 C ATOM 74 CG LEU A 6 5.095 -6.747 3.694 1.00 10.00 C ATOM 75 CD1 LEU A 6 5.165 -5.291 4.142 1.00 10.00 C ATOM 76 CD2 LEU A 6 3.697 -7.034 3.145 1.00 10.00 C ATOM 0 H LEU A 6 5.789 -9.904 3.654 1.00 10.00 H new ATOM 0 HA LEU A 6 5.423 -8.848 1.777 1.00 10.00 H new ATOM 0 HB2 LEU A 6 7.150 -6.673 3.058 1.00 10.00 H new ATOM 0 HB3 LEU A 6 5.994 -6.416 1.766 1.00 10.00 H new ATOM 0 HG LEU A 6 5.268 -7.419 4.535 1.00 10.00 H new ATOM 0 HD11 LEU A 6 4.385 -5.099 4.879 1.00 10.00 H new ATOM 0 HD12 LEU A 6 6.140 -5.094 4.587 1.00 10.00 H new ATOM 0 HD13 LEU A 6 5.020 -4.638 3.281 1.00 10.00 H new ATOM 0 HD21 LEU A 6 2.954 -6.829 3.916 1.00 10.00 H new ATOM 0 HD22 LEU A 6 3.508 -6.398 2.280 1.00 10.00 H new ATOM 0 HD23 LEU A 6 3.631 -8.080 2.847 1.00 10.00 H new ATOM 88 N GLU A 7 8.085 -9.800 1.005 1.00 10.00 N ATOM 89 CA GLU A 7 8.843 -10.210 -0.198 1.00 10.00 C ATOM 90 C GLU A 7 7.940 -10.342 -1.444 1.00 10.00 C ATOM 91 O GLU A 7 8.395 -10.137 -2.571 1.00 10.00 O ATOM 92 CB GLU A 7 9.588 -11.531 0.059 1.00 10.00 C ATOM 93 CG GLU A 7 10.750 -11.355 1.044 1.00 10.00 C ATOM 94 CD GLU A 7 11.524 -12.672 1.247 1.00 10.00 C ATOM 95 OE1 GLU A 7 12.293 -13.069 0.339 1.00 10.00 O ATOM 96 OE2 GLU A 7 11.380 -13.312 2.316 1.00 10.00 O ATOM 0 H GLU A 7 8.173 -10.448 1.787 1.00 10.00 H new ATOM 0 HA GLU A 7 9.567 -9.421 -0.403 1.00 10.00 H new ATOM 0 HB2 GLU A 7 8.890 -12.270 0.451 1.00 10.00 H new ATOM 0 HB3 GLU A 7 9.969 -11.921 -0.885 1.00 10.00 H new ATOM 0 HG2 GLU A 7 11.429 -10.587 0.674 1.00 10.00 H new ATOM 0 HG3 GLU A 7 10.366 -11.006 2.003 1.00 10.00 H new ATOM 103 N PHE A 8 6.646 -10.617 -1.236 1.00 10.00 N ATOM 104 CA PHE A 8 5.598 -10.673 -2.263 1.00 10.00 C ATOM 105 C PHE A 8 5.365 -9.336 -2.996 1.00 10.00 C ATOM 106 O PHE A 8 4.993 -9.348 -4.170 1.00 10.00 O ATOM 107 CB PHE A 8 4.294 -11.153 -1.609 1.00 10.00 C ATOM 108 CG PHE A 8 4.429 -12.450 -0.828 1.00 10.00 C ATOM 109 CD1 PHE A 8 4.698 -13.657 -1.502 1.00 10.00 C ATOM 110 CD2 PHE A 8 4.314 -12.449 0.577 1.00 10.00 C ATOM 111 CE1 PHE A 8 4.855 -14.852 -0.778 1.00 10.00 C ATOM 112 CE2 PHE A 8 4.472 -13.645 1.301 1.00 10.00 C ATOM 113 CZ PHE A 8 4.744 -14.846 0.624 1.00 10.00 C ATOM 0 H PHE A 8 6.284 -10.816 -0.303 1.00 10.00 H new ATOM 0 HA PHE A 8 5.936 -11.371 -3.029 1.00 10.00 H new ATOM 0 HB2 PHE A 8 3.929 -10.375 -0.939 1.00 10.00 H new ATOM 0 HB3 PHE A 8 3.539 -11.286 -2.384 1.00 10.00 H new ATOM 0 HD1 PHE A 8 4.784 -13.665 -2.579 1.00 10.00 H new ATOM 0 HD2 PHE A 8 4.104 -11.527 1.099 1.00 10.00 H new ATOM 0 HE1 PHE A 8 5.061 -15.775 -1.299 1.00 10.00 H new ATOM 0 HE2 PHE A 8 4.384 -13.640 2.377 1.00 10.00 H new ATOM 0 HZ PHE A 8 4.868 -15.764 1.180 1.00 10.00 H new ATOM 123 N LEU A 9 5.619 -8.193 -2.341 1.00 10.00 N ATOM 124 CA LEU A 9 5.648 -6.870 -2.982 1.00 10.00 C ATOM 125 C LEU A 9 6.975 -6.628 -3.714 1.00 10.00 C ATOM 126 O LEU A 9 6.977 -6.221 -4.876 1.00 10.00 O ATOM 127 CB LEU A 9 5.469 -5.770 -1.916 1.00 10.00 C ATOM 128 CG LEU A 9 4.034 -5.529 -1.426 1.00 10.00 C ATOM 129 CD1 LEU A 9 4.084 -4.547 -0.256 1.00 10.00 C ATOM 130 CD2 LEU A 9 3.149 -4.910 -2.514 1.00 10.00 C ATOM 0 H LEU A 9 5.812 -8.161 -1.340 1.00 10.00 H new ATOM 0 HA LEU A 9 4.835 -6.838 -3.707 1.00 10.00 H new ATOM 0 HB2 LEU A 9 6.087 -6.023 -1.055 1.00 10.00 H new ATOM 0 HB3 LEU A 9 5.855 -4.834 -2.321 1.00 10.00 H new ATOM 0 HG LEU A 9 3.611 -6.492 -1.141 1.00 10.00 H new ATOM 0 HD11 LEU A 9 3.073 -4.362 0.107 1.00 10.00 H new ATOM 0 HD12 LEU A 9 4.687 -4.969 0.548 1.00 10.00 H new ATOM 0 HD13 LEU A 9 4.528 -3.608 -0.588 1.00 10.00 H new ATOM 0 HD21 LEU A 9 2.143 -4.758 -2.122 1.00 10.00 H new ATOM 0 HD22 LEU A 9 3.568 -3.952 -2.822 1.00 10.00 H new ATOM 0 HD23 LEU A 9 3.106 -5.580 -3.373 1.00 10.00 H new ATOM 142 N ARG A 10 8.100 -6.899 -3.036 1.00 10.00 N ATOM 143 CA ARG A 10 9.487 -6.519 -3.398 1.00 10.00 C ATOM 144 C ARG A 10 10.091 -7.246 -4.621 1.00 10.00 C ATOM 145 O ARG A 10 11.310 -7.385 -4.738 1.00 10.00 O ATOM 146 CB ARG A 10 10.367 -6.633 -2.133 1.00 10.00 C ATOM 147 CG ARG A 10 9.963 -5.589 -1.076 1.00 10.00 C ATOM 148 CD ARG A 10 10.917 -5.563 0.120 1.00 10.00 C ATOM 149 NE ARG A 10 10.695 -6.692 1.045 1.00 10.00 N ATOM 150 CZ ARG A 10 11.585 -7.189 1.886 1.00 10.00 C ATOM 151 NH1 ARG A 10 12.835 -6.815 1.878 1.00 10.00 N ATOM 152 NH2 ARG A 10 11.245 -8.065 2.780 1.00 10.00 N ATOM 0 H ARG A 10 8.071 -7.424 -2.162 1.00 10.00 H new ATOM 0 HA ARG A 10 9.455 -5.487 -3.748 1.00 10.00 H new ATOM 0 HB2 ARG A 10 10.275 -7.634 -1.712 1.00 10.00 H new ATOM 0 HB3 ARG A 10 11.414 -6.495 -2.402 1.00 10.00 H new ATOM 0 HG2 ARG A 10 9.937 -4.602 -1.537 1.00 10.00 H new ATOM 0 HG3 ARG A 10 8.953 -5.804 -0.726 1.00 10.00 H new ATOM 0 HD2 ARG A 10 11.946 -5.589 -0.239 1.00 10.00 H new ATOM 0 HD3 ARG A 10 10.792 -4.625 0.660 1.00 10.00 H new ATOM 0 HE ARG A 10 9.773 -7.127 1.034 1.00 10.00 H new ATOM 0 HH11 ARG A 10 13.154 -6.116 1.207 1.00 10.00 H new ATOM 0 HH12 ARG A 10 13.493 -7.221 2.543 1.00 10.00 H new ATOM 0 HH21 ARG A 10 10.277 -8.381 2.842 1.00 10.00 H new ATOM 0 HH22 ARG A 10 11.945 -8.438 3.421 1.00 10.00 H new ATOM 166 N ASN A 11 9.242 -7.690 -5.546 1.00 10.00 N ATOM 167 CA ASN A 11 9.587 -8.322 -6.824 1.00 10.00 C ATOM 168 C ASN A 11 8.709 -7.847 -8.012 1.00 10.00 C ATOM 169 O ASN A 11 9.024 -8.154 -9.164 1.00 10.00 O ATOM 170 CB ASN A 11 9.490 -9.851 -6.640 1.00 10.00 C ATOM 171 CG ASN A 11 8.052 -10.320 -6.483 1.00 10.00 C ATOM 172 OD1 ASN A 11 7.312 -10.478 -7.444 1.00 10.00 O ATOM 173 ND2 ASN A 11 7.572 -10.508 -5.278 1.00 10.00 N ATOM 0 H ASN A 11 8.233 -7.615 -5.418 1.00 10.00 H new ATOM 0 HA ASN A 11 10.602 -8.024 -7.088 1.00 10.00 H new ATOM 0 HB2 ASN A 11 9.941 -10.348 -7.499 1.00 10.00 H new ATOM 0 HB3 ASN A 11 10.065 -10.147 -5.762 1.00 10.00 H new ATOM 0 HD21 ASN A 11 6.597 -10.781 -5.154 1.00 10.00 H new ATOM 0 HD22 ASN A 11 8.173 -10.381 -4.464 1.00 10.00 H new ATOM 180 N GLN A 12 7.600 -7.136 -7.756 1.00 10.00 N ATOM 181 CA GLN A 12 6.567 -6.847 -8.762 1.00 10.00 C ATOM 182 C GLN A 12 6.954 -5.684 -9.709 1.00 10.00 C ATOM 183 O GLN A 12 7.542 -4.701 -9.245 1.00 10.00 O ATOM 184 CB GLN A 12 5.242 -6.534 -8.045 1.00 10.00 C ATOM 185 CG GLN A 12 4.634 -7.757 -7.334 1.00 10.00 C ATOM 186 CD GLN A 12 4.070 -8.781 -8.321 1.00 10.00 C ATOM 187 OE1 GLN A 12 3.005 -8.602 -8.900 1.00 10.00 O ATOM 188 NE2 GLN A 12 4.750 -9.879 -8.575 1.00 10.00 N ATOM 0 H GLN A 12 7.394 -6.743 -6.838 1.00 10.00 H new ATOM 0 HA GLN A 12 6.461 -7.731 -9.391 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.410 -5.743 -7.314 1.00 10.00 H new ATOM 0 HB3 GLN A 12 4.525 -6.150 -8.771 1.00 10.00 H new ATOM 0 HG2 GLN A 12 5.397 -8.232 -6.717 1.00 10.00 H new ATOM 0 HG3 GLN A 12 3.841 -7.427 -6.663 1.00 10.00 H new ATOM 0 HE21 GLN A 12 5.639 -10.049 -8.105 1.00 10.00 H new ATOM 0 HE22 GLN A 12 4.388 -10.560 -9.242 1.00 10.00 H new ATOM 197 N PRO A 13 6.576 -5.726 -11.008 1.00 10.00 N ATOM 198 CA PRO A 13 6.878 -4.680 -11.998 1.00 10.00 C ATOM 199 C PRO A 13 6.486 -3.238 -11.625 1.00 10.00 C ATOM 200 O PRO A 13 7.126 -2.293 -12.088 1.00 10.00 O ATOM 201 CB PRO A 13 6.151 -5.106 -13.279 1.00 10.00 C ATOM 202 CG PRO A 13 6.100 -6.624 -13.170 1.00 10.00 C ATOM 203 CD PRO A 13 5.906 -6.842 -11.673 1.00 10.00 C ATOM 0 HA PRO A 13 7.962 -4.619 -12.090 1.00 10.00 H new ATOM 0 HB2 PRO A 13 5.152 -4.674 -13.336 1.00 10.00 H new ATOM 0 HB3 PRO A 13 6.689 -4.785 -14.171 1.00 10.00 H new ATOM 0 HG2 PRO A 13 5.279 -7.045 -13.751 1.00 10.00 H new ATOM 0 HG3 PRO A 13 7.018 -7.088 -13.532 1.00 10.00 H new ATOM 0 HD2 PRO A 13 4.847 -6.868 -11.418 1.00 10.00 H new ATOM 0 HD3 PRO A 13 6.333 -7.795 -11.360 1.00 10.00 H new ATOM 211 N GLN A 14 5.456 -3.057 -10.786 1.00 10.00 N ATOM 212 CA GLN A 14 4.915 -1.742 -10.397 1.00 10.00 C ATOM 213 C GLN A 14 4.996 -1.459 -8.885 1.00 10.00 C ATOM 214 O GLN A 14 4.527 -0.415 -8.429 1.00 10.00 O ATOM 215 CB GLN A 14 3.489 -1.571 -10.953 1.00 10.00 C ATOM 216 CG GLN A 14 3.461 -1.623 -12.489 1.00 10.00 C ATOM 217 CD GLN A 14 2.139 -1.105 -13.051 1.00 10.00 C ATOM 218 OE1 GLN A 14 1.125 -1.793 -13.076 1.00 10.00 O ATOM 219 NE2 GLN A 14 2.095 0.124 -13.521 1.00 10.00 N ATOM 0 H GLN A 14 4.964 -3.836 -10.348 1.00 10.00 H new ATOM 0 HA GLN A 14 5.556 -0.985 -10.849 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.847 -2.355 -10.552 1.00 10.00 H new ATOM 0 HB3 GLN A 14 3.079 -0.619 -10.615 1.00 10.00 H new ATOM 0 HG2 GLN A 14 4.283 -1.028 -12.888 1.00 10.00 H new ATOM 0 HG3 GLN A 14 3.620 -2.649 -12.821 1.00 10.00 H new ATOM 0 HE21 GLN A 14 2.932 0.706 -13.506 1.00 10.00 H new ATOM 0 HE22 GLN A 14 1.224 0.494 -13.901 1.00 10.00 H new ATOM 228 N PHE A 15 5.681 -2.308 -8.108 1.00 10.00 N ATOM 229 CA PHE A 15 6.137 -1.959 -6.749 1.00 10.00 C ATOM 230 C PHE A 15 7.096 -0.757 -6.782 1.00 10.00 C ATOM 231 O PHE A 15 7.105 0.076 -5.879 1.00 10.00 O ATOM 232 CB PHE A 15 6.811 -3.185 -6.114 1.00 10.00 C ATOM 233 CG PHE A 15 7.573 -2.897 -4.832 1.00 10.00 C ATOM 234 CD1 PHE A 15 6.878 -2.717 -3.622 1.00 10.00 C ATOM 235 CD2 PHE A 15 8.978 -2.786 -4.853 1.00 10.00 C ATOM 236 CE1 PHE A 15 7.583 -2.451 -2.435 1.00 10.00 C ATOM 237 CE2 PHE A 15 9.681 -2.496 -3.671 1.00 10.00 C ATOM 238 CZ PHE A 15 8.984 -2.325 -2.461 1.00 10.00 C ATOM 0 H PHE A 15 5.935 -3.252 -8.398 1.00 10.00 H new ATOM 0 HA PHE A 15 5.277 -1.670 -6.145 1.00 10.00 H new ATOM 0 HB2 PHE A 15 6.048 -3.935 -5.906 1.00 10.00 H new ATOM 0 HB3 PHE A 15 7.498 -3.621 -6.839 1.00 10.00 H new ATOM 0 HD1 PHE A 15 5.800 -2.783 -3.605 1.00 10.00 H new ATOM 0 HD2 PHE A 15 9.516 -2.924 -5.779 1.00 10.00 H new ATOM 0 HE1 PHE A 15 7.049 -2.343 -1.503 1.00 10.00 H new ATOM 0 HE2 PHE A 15 10.757 -2.404 -3.692 1.00 10.00 H new ATOM 0 HZ PHE A 15 9.524 -2.097 -1.554 1.00 10.00 H new ATOM 248 N GLN A 16 7.853 -0.613 -7.870 1.00 10.00 N ATOM 249 CA GLN A 16 8.662 0.566 -8.182 1.00 10.00 C ATOM 250 C GLN A 16 7.846 1.822 -8.555 1.00 10.00 C ATOM 251 O GLN A 16 8.444 2.886 -8.717 1.00 10.00 O ATOM 252 CB GLN A 16 9.630 0.193 -9.317 1.00 10.00 C ATOM 253 CG GLN A 16 10.733 -0.801 -8.903 1.00 10.00 C ATOM 254 CD GLN A 16 11.753 -0.263 -7.893 1.00 10.00 C ATOM 255 OE1 GLN A 16 11.670 0.842 -7.369 1.00 10.00 O ATOM 256 NE2 GLN A 16 12.753 -1.044 -7.547 1.00 10.00 N ATOM 0 H GLN A 16 7.922 -1.339 -8.583 1.00 10.00 H new ATOM 0 HA GLN A 16 9.197 0.844 -7.274 1.00 10.00 H new ATOM 0 HB2 GLN A 16 9.059 -0.237 -10.140 1.00 10.00 H new ATOM 0 HB3 GLN A 16 10.098 1.102 -9.694 1.00 10.00 H new ATOM 0 HG2 GLN A 16 10.260 -1.688 -8.480 1.00 10.00 H new ATOM 0 HG3 GLN A 16 11.266 -1.120 -9.798 1.00 10.00 H new ATOM 0 HE21 GLN A 16 12.847 -1.969 -7.967 1.00 10.00 H new ATOM 0 HE22 GLN A 16 13.435 -0.725 -6.859 1.00 10.00 H new ATOM 265 N GLN A 17 6.513 1.738 -8.679 1.00 10.00 N ATOM 266 CA GLN A 17 5.653 2.836 -9.150 1.00 10.00 C ATOM 267 C GLN A 17 4.574 3.252 -8.148 1.00 10.00 C ATOM 268 O GLN A 17 4.462 4.443 -7.873 1.00 10.00 O ATOM 269 CB GLN A 17 5.014 2.486 -10.503 1.00 10.00 C ATOM 270 CG GLN A 17 6.075 2.323 -11.602 1.00 10.00 C ATOM 271 CD GLN A 17 5.476 2.381 -13.005 1.00 10.00 C ATOM 272 OE1 GLN A 17 4.515 1.694 -13.335 1.00 10.00 O ATOM 273 NE2 GLN A 17 6.008 3.206 -13.880 1.00 10.00 N ATOM 0 H GLN A 17 5.993 0.891 -8.451 1.00 10.00 H new ATOM 0 HA GLN A 17 6.311 3.697 -9.266 1.00 10.00 H new ATOM 0 HB2 GLN A 17 4.442 1.563 -10.408 1.00 10.00 H new ATOM 0 HB3 GLN A 17 4.311 3.269 -10.788 1.00 10.00 H new ATOM 0 HG2 GLN A 17 6.825 3.107 -11.498 1.00 10.00 H new ATOM 0 HG3 GLN A 17 6.589 1.371 -11.469 1.00 10.00 H new ATOM 0 HE21 GLN A 17 6.807 3.782 -13.617 1.00 10.00 H new ATOM 0 HE22 GLN A 17 5.621 3.270 -14.822 1.00 10.00 H new ATOM 282 N MET A 18 3.826 2.328 -7.532 1.00 10.00 N ATOM 283 CA MET A 18 2.773 2.665 -6.563 1.00 10.00 C ATOM 284 C MET A 18 3.284 3.485 -5.368 1.00 10.00 C ATOM 285 O MET A 18 2.592 4.371 -4.878 1.00 10.00 O ATOM 286 CB MET A 18 2.055 1.378 -6.138 1.00 10.00 C ATOM 287 CG MET A 18 2.954 0.375 -5.389 1.00 10.00 C ATOM 288 SD MET A 18 2.159 -1.173 -4.872 1.00 10.00 S ATOM 289 CE MET A 18 1.899 -1.979 -6.478 1.00 10.00 C ATOM 0 H MET A 18 3.933 1.326 -7.690 1.00 10.00 H new ATOM 0 HA MET A 18 2.056 3.325 -7.051 1.00 10.00 H new ATOM 0 HB2 MET A 18 1.210 1.639 -5.500 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.647 0.892 -7.024 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.802 0.129 -6.029 1.00 10.00 H new ATOM 0 HG3 MET A 18 3.355 0.868 -4.503 1.00 10.00 H new ATOM 0 HE1 MET A 18 1.516 -2.987 -6.321 1.00 10.00 H new ATOM 0 HE2 MET A 18 1.180 -1.404 -7.061 1.00 10.00 H new ATOM 0 HE3 MET A 18 2.845 -2.030 -7.017 1.00 10.00 H new ATOM 299 N ARG A 19 4.534 3.261 -4.952 1.00 10.00 N ATOM 300 CA ARG A 19 5.212 4.002 -3.871 1.00 10.00 C ATOM 301 C ARG A 19 5.603 5.424 -4.272 1.00 10.00 C ATOM 302 O ARG A 19 5.561 6.318 -3.431 1.00 10.00 O ATOM 303 CB ARG A 19 6.453 3.205 -3.440 1.00 10.00 C ATOM 304 CG ARG A 19 6.094 1.754 -3.088 1.00 10.00 C ATOM 305 CD ARG A 19 7.276 1.034 -2.428 1.00 10.00 C ATOM 306 NE ARG A 19 8.339 0.756 -3.413 1.00 10.00 N ATOM 307 CZ ARG A 19 9.598 1.151 -3.384 1.00 10.00 C ATOM 308 NH1 ARG A 19 10.130 1.759 -2.371 1.00 10.00 N ATOM 309 NH2 ARG A 19 10.382 0.961 -4.401 1.00 10.00 N ATOM 0 H ARG A 19 5.124 2.539 -5.367 1.00 10.00 H new ATOM 0 HA ARG A 19 4.512 4.107 -3.042 1.00 10.00 H new ATOM 0 HB2 ARG A 19 7.190 3.214 -4.243 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.915 3.686 -2.578 1.00 10.00 H new ATOM 0 HG2 ARG A 19 5.236 1.742 -2.416 1.00 10.00 H new ATOM 0 HG3 ARG A 19 5.798 1.220 -3.991 1.00 10.00 H new ATOM 0 HD2 ARG A 19 7.675 1.647 -1.620 1.00 10.00 H new ATOM 0 HD3 ARG A 19 6.935 0.100 -1.982 1.00 10.00 H new ATOM 0 HE ARG A 19 8.067 0.188 -4.216 1.00 10.00 H new ATOM 0 HH11 ARG A 19 9.569 1.954 -1.542 1.00 10.00 H new ATOM 0 HH12 ARG A 19 11.109 2.042 -2.403 1.00 10.00 H new ATOM 0 HH21 ARG A 19 10.028 0.500 -5.239 1.00 10.00 H new ATOM 0 HH22 ARG A 19 11.352 1.273 -4.362 1.00 10.00 H new ATOM 323 N GLN A 20 5.891 5.663 -5.556 1.00 10.00 N ATOM 324 CA GLN A 20 6.107 7.021 -6.101 1.00 10.00 C ATOM 325 C GLN A 20 4.872 7.906 -5.886 1.00 10.00 C ATOM 326 O GLN A 20 4.994 9.103 -5.633 1.00 10.00 O ATOM 327 CB GLN A 20 6.394 7.031 -7.617 1.00 10.00 C ATOM 328 CG GLN A 20 7.636 6.259 -8.085 1.00 10.00 C ATOM 329 CD GLN A 20 7.815 6.316 -9.608 1.00 10.00 C ATOM 330 OE1 GLN A 20 7.537 7.309 -10.270 1.00 10.00 O ATOM 331 NE2 GLN A 20 8.278 5.254 -10.229 1.00 10.00 N ATOM 0 H GLN A 20 5.982 4.924 -6.253 1.00 10.00 H new ATOM 0 HA GLN A 20 6.975 7.401 -5.563 1.00 10.00 H new ATOM 0 HB2 GLN A 20 5.524 6.622 -8.131 1.00 10.00 H new ATOM 0 HB3 GLN A 20 6.496 8.068 -7.938 1.00 10.00 H new ATOM 0 HG2 GLN A 20 8.521 6.671 -7.601 1.00 10.00 H new ATOM 0 HG3 GLN A 20 7.555 5.219 -7.769 1.00 10.00 H new ATOM 0 HE21 GLN A 20 8.516 4.416 -9.698 1.00 10.00 H new ATOM 0 HE22 GLN A 20 8.399 5.268 -11.242 1.00 10.00 H new ATOM 340 N ILE A 21 3.680 7.311 -5.987 1.00 10.00 N ATOM 341 CA ILE A 21 2.391 7.982 -5.793 1.00 10.00 C ATOM 342 C ILE A 21 2.266 8.448 -4.337 1.00 10.00 C ATOM 343 O ILE A 21 1.933 9.601 -4.065 1.00 10.00 O ATOM 344 CB ILE A 21 1.220 7.043 -6.193 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.528 6.318 -7.523 1.00 10.00 C ATOM 346 CG2 ILE A 21 -0.079 7.858 -6.277 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.429 5.408 -8.082 1.00 10.00 C ATOM 0 H ILE A 21 3.582 6.321 -6.212 1.00 10.00 H new ATOM 0 HA ILE A 21 2.340 8.858 -6.439 1.00 10.00 H new ATOM 0 HB ILE A 21 1.096 6.272 -5.432 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.761 7.072 -8.275 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.428 5.719 -7.383 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -0.903 7.202 -6.558 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.289 8.309 -5.307 1.00 10.00 H new ATOM 0 HG23 ILE A 21 0.031 8.642 -7.026 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.768 4.959 -9.016 1.00 10.00 H new ATOM 0 HD12 ILE A 21 0.207 4.621 -7.361 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.470 5.995 -8.267 1.00 10.00 H new ATOM 359 N ILE A 22 2.614 7.567 -3.396 1.00 10.00 N ATOM 360 CA ILE A 22 2.483 7.806 -1.947 1.00 10.00 C ATOM 361 C ILE A 22 3.551 8.784 -1.432 1.00 10.00 C ATOM 362 O ILE A 22 3.270 9.622 -0.577 1.00 10.00 O ATOM 363 CB ILE A 22 2.521 6.469 -1.169 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.537 5.400 -1.705 1.00 10.00 C ATOM 365 CG2 ILE A 22 2.224 6.690 0.323 1.00 10.00 C ATOM 366 CD1 ILE A 22 0.144 5.915 -2.085 1.00 10.00 C ATOM 0 H ILE A 22 3.002 6.650 -3.618 1.00 10.00 H new ATOM 0 HA ILE A 22 1.514 8.273 -1.773 1.00 10.00 H new ATOM 0 HB ILE A 22 3.534 6.092 -1.313 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.982 4.929 -2.581 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.424 4.624 -0.948 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.257 5.734 0.846 1.00 10.00 H new ATOM 0 HG22 ILE A 22 2.970 7.362 0.747 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.234 7.131 0.435 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.464 5.086 -2.448 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.331 6.358 -1.210 1.00 10.00 H new ATOM 0 HD13 ILE A 22 0.235 6.668 -2.868 1.00 10.00 H new ATOM 378 N GLN A 23 4.755 8.747 -2.009 1.00 10.00 N ATOM 379 CA GLN A 23 5.858 9.683 -1.747 1.00 10.00 C ATOM 380 C GLN A 23 5.586 11.146 -2.183 1.00 10.00 C ATOM 381 O GLN A 23 6.410 12.025 -1.921 1.00 10.00 O ATOM 382 CB GLN A 23 7.132 9.121 -2.404 1.00 10.00 C ATOM 383 CG GLN A 23 7.753 7.990 -1.560 1.00 10.00 C ATOM 384 CD GLN A 23 9.060 7.440 -2.139 1.00 10.00 C ATOM 385 OE1 GLN A 23 9.841 8.129 -2.784 1.00 10.00 O ATOM 386 NE2 GLN A 23 9.362 6.181 -1.909 1.00 10.00 N ATOM 0 H GLN A 23 5.000 8.037 -2.699 1.00 10.00 H new ATOM 0 HA GLN A 23 5.978 9.754 -0.666 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.894 8.745 -3.399 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.860 9.922 -2.532 1.00 10.00 H new ATOM 0 HG2 GLN A 23 7.939 8.361 -0.552 1.00 10.00 H new ATOM 0 HG3 GLN A 23 7.033 7.176 -1.472 1.00 10.00 H new ATOM 0 HE21 GLN A 23 8.723 5.593 -1.374 1.00 10.00 H new ATOM 0 HE22 GLN A 23 10.235 5.793 -2.266 1.00 10.00 H new ATOM 395 N GLN A 24 4.436 11.428 -2.811 1.00 10.00 N ATOM 396 CA GLN A 24 3.996 12.773 -3.243 1.00 10.00 C ATOM 397 C GLN A 24 2.589 13.098 -2.725 1.00 10.00 C ATOM 398 O GLN A 24 2.300 14.232 -2.338 1.00 10.00 O ATOM 399 CB GLN A 24 3.986 12.856 -4.779 1.00 10.00 C ATOM 400 CG GLN A 24 5.335 12.493 -5.397 1.00 10.00 C ATOM 401 CD GLN A 24 5.280 12.473 -6.921 1.00 10.00 C ATOM 402 OE1 GLN A 24 5.359 13.493 -7.595 1.00 10.00 O ATOM 403 NE2 GLN A 24 5.137 11.310 -7.520 1.00 10.00 N ATOM 0 H GLN A 24 3.758 10.703 -3.043 1.00 10.00 H new ATOM 0 HA GLN A 24 4.699 13.495 -2.829 1.00 10.00 H new ATOM 0 HB2 GLN A 24 3.220 12.187 -5.170 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.712 13.866 -5.083 1.00 10.00 H new ATOM 0 HG2 GLN A 24 6.088 13.211 -5.071 1.00 10.00 H new ATOM 0 HG3 GLN A 24 5.649 11.515 -5.033 1.00 10.00 H new ATOM 0 HE21 GLN A 24 5.070 10.456 -6.966 1.00 10.00 H new ATOM 0 HE22 GLN A 24 5.093 11.263 -8.538 1.00 10.00 H new ATOM 412 N ASN A 25 1.737 12.073 -2.666 1.00 10.00 N ATOM 413 CA ASN A 25 0.378 12.104 -2.123 1.00 10.00 C ATOM 414 C ASN A 25 0.159 10.965 -1.104 1.00 10.00 C ATOM 415 O ASN A 25 -0.447 9.941 -1.432 1.00 10.00 O ATOM 416 CB ASN A 25 -0.650 12.104 -3.273 1.00 10.00 C ATOM 417 CG ASN A 25 -1.010 13.513 -3.701 1.00 10.00 C ATOM 418 OD1 ASN A 25 -0.614 14.002 -4.749 1.00 10.00 O ATOM 419 ND2 ASN A 25 -1.774 14.207 -2.885 1.00 10.00 N ATOM 0 H ASN A 25 1.991 11.149 -3.015 1.00 10.00 H new ATOM 0 HA ASN A 25 0.232 13.030 -1.566 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.244 11.557 -4.124 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.551 11.578 -2.956 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -2.041 15.162 -3.125 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -2.099 13.790 -2.013 1.00 10.00 H new ATOM 426 N PRO A 26 0.608 11.131 0.159 1.00 10.00 N ATOM 427 CA PRO A 26 0.355 10.158 1.224 1.00 10.00 C ATOM 428 C PRO A 26 -1.140 10.015 1.562 1.00 10.00 C ATOM 429 O PRO A 26 -1.565 8.975 2.066 1.00 10.00 O ATOM 430 CB PRO A 26 1.183 10.638 2.418 1.00 10.00 C ATOM 431 CG PRO A 26 1.287 12.143 2.198 1.00 10.00 C ATOM 432 CD PRO A 26 1.365 12.262 0.681 1.00 10.00 C ATOM 0 HA PRO A 26 0.647 9.154 0.915 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.696 10.404 3.364 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.166 10.167 2.440 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.422 12.671 2.600 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.169 12.562 2.682 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.943 13.207 0.340 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.399 12.233 0.338 1.00 10.00 H new ATOM 440 N SER A 27 -1.961 11.008 1.201 1.00 10.00 N ATOM 441 CA SER A 27 -3.430 10.941 1.194 1.00 10.00 C ATOM 442 C SER A 27 -4.018 9.811 0.329 1.00 10.00 C ATOM 443 O SER A 27 -5.171 9.425 0.536 1.00 10.00 O ATOM 444 CB SER A 27 -3.998 12.292 0.737 1.00 10.00 C ATOM 445 OG SER A 27 -3.429 12.704 -0.502 1.00 10.00 O ATOM 0 H SER A 27 -1.609 11.915 0.894 1.00 10.00 H new ATOM 0 HA SER A 27 -3.726 10.711 2.218 1.00 10.00 H new ATOM 0 HB2 SER A 27 -5.081 12.217 0.635 1.00 10.00 H new ATOM 0 HB3 SER A 27 -3.801 13.047 1.498 1.00 10.00 H new ATOM 0 HG SER A 27 -3.812 13.566 -0.767 1.00 10.00 H new ATOM 451 N LEU A 28 -3.236 9.235 -0.595 1.00 10.00 N ATOM 452 CA LEU A 28 -3.628 8.102 -1.444 1.00 10.00 C ATOM 453 C LEU A 28 -3.059 6.751 -0.975 1.00 10.00 C ATOM 454 O LEU A 28 -3.285 5.741 -1.639 1.00 10.00 O ATOM 455 CB LEU A 28 -3.256 8.394 -2.912 1.00 10.00 C ATOM 456 CG LEU A 28 -3.943 9.626 -3.531 1.00 10.00 C ATOM 457 CD1 LEU A 28 -3.586 9.684 -5.015 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.471 9.596 -3.426 1.00 10.00 C ATOM 0 H LEU A 28 -2.285 9.555 -0.777 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.710 8.000 -1.359 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.176 8.530 -2.976 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.504 7.519 -3.514 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.590 10.494 -2.974 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.064 10.551 -5.471 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.505 9.766 -5.126 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -3.934 8.777 -5.509 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -5.885 10.495 -3.883 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -5.854 8.717 -3.944 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.763 9.555 -2.377 1.00 10.00 H new ATOM 470 N LEU A 29 -2.380 6.681 0.176 1.00 10.00 N ATOM 471 CA LEU A 29 -2.063 5.405 0.836 1.00 10.00 C ATOM 472 C LEU A 29 -3.327 4.546 1.075 1.00 10.00 C ATOM 473 O LEU A 29 -3.358 3.403 0.608 1.00 10.00 O ATOM 474 CB LEU A 29 -1.248 5.683 2.114 1.00 10.00 C ATOM 475 CG LEU A 29 -0.897 4.443 2.957 1.00 10.00 C ATOM 476 CD1 LEU A 29 -0.192 3.365 2.138 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.021 4.846 4.111 1.00 10.00 C ATOM 0 H LEU A 29 -2.036 7.501 0.675 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.442 4.798 0.177 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.322 6.184 1.832 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.809 6.379 2.738 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.837 4.034 3.328 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.034 2.512 2.778 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.841 3.045 1.322 1.00 10.00 H new ATOM 0 HD13 LEU A 29 0.735 3.767 1.728 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.267 3.966 4.705 1.00 10.00 H new ATOM 0 HD22 LEU A 29 0.937 5.282 3.712 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -0.485 5.578 4.740 1.00 10.00 H new ATOM 489 N PRO A 30 -4.411 5.086 1.679 1.00 10.00 N ATOM 490 CA PRO A 30 -5.712 4.420 1.741 1.00 10.00 C ATOM 491 C PRO A 30 -6.212 3.895 0.400 1.00 10.00 C ATOM 492 O PRO A 30 -6.736 2.788 0.299 1.00 10.00 O ATOM 493 CB PRO A 30 -6.695 5.478 2.250 1.00 10.00 C ATOM 494 CG PRO A 30 -5.858 6.542 2.938 1.00 10.00 C ATOM 495 CD PRO A 30 -4.429 6.325 2.449 1.00 10.00 C ATOM 0 HA PRO A 30 -5.624 3.545 2.385 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.267 5.906 1.426 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.413 5.040 2.943 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -6.211 7.542 2.685 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.919 6.448 4.022 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -4.103 7.163 1.833 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.741 6.262 3.292 1.00 10.00 H new ATOM 503 N ALA A 31 -6.062 4.719 -0.629 1.00 10.00 N ATOM 504 CA ALA A 31 -6.486 4.444 -1.992 1.00 10.00 C ATOM 505 C ALA A 31 -5.612 3.397 -2.722 1.00 10.00 C ATOM 506 O ALA A 31 -6.033 2.881 -3.760 1.00 10.00 O ATOM 507 CB ALA A 31 -6.536 5.792 -2.718 1.00 10.00 C ATOM 0 H ALA A 31 -5.623 5.635 -0.531 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.470 3.975 -1.982 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -6.851 5.638 -3.750 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.246 6.449 -2.216 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.547 6.249 -2.705 1.00 10.00 H new ATOM 513 N LEU A 32 -4.440 3.026 -2.178 1.00 10.00 N ATOM 514 CA LEU A 32 -3.585 1.959 -2.715 1.00 10.00 C ATOM 515 C LEU A 32 -3.841 0.653 -1.963 1.00 10.00 C ATOM 516 O LEU A 32 -3.974 -0.397 -2.583 1.00 10.00 O ATOM 517 CB LEU A 32 -2.123 2.411 -2.590 1.00 10.00 C ATOM 518 CG LEU A 32 -1.058 1.392 -3.036 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.284 0.889 -4.461 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.324 2.047 -2.941 1.00 10.00 C ATOM 0 H LEU A 32 -4.057 3.466 -1.342 1.00 10.00 H new ATOM 0 HA LEU A 32 -3.812 1.773 -3.765 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -1.994 3.321 -3.176 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.933 2.673 -1.549 1.00 10.00 H new ATOM 0 HG LEU A 32 -1.129 0.528 -2.375 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.504 0.174 -4.722 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.258 0.404 -4.525 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.251 1.730 -5.153 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.087 1.334 -3.255 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.357 2.923 -3.589 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.513 2.351 -1.911 1.00 10.00 H new ATOM 532 N LEU A 33 -4.028 0.720 -0.645 1.00 10.00 N ATOM 533 CA LEU A 33 -4.511 -0.402 0.164 1.00 10.00 C ATOM 534 C LEU A 33 -5.873 -0.903 -0.347 1.00 10.00 C ATOM 535 O LEU A 33 -6.043 -2.093 -0.616 1.00 10.00 O ATOM 536 CB LEU A 33 -4.592 0.060 1.626 1.00 10.00 C ATOM 537 CG LEU A 33 -3.217 0.376 2.249 1.00 10.00 C ATOM 538 CD1 LEU A 33 -3.375 1.409 3.359 1.00 10.00 C ATOM 539 CD2 LEU A 33 -2.576 -0.883 2.825 1.00 10.00 C ATOM 0 H LEU A 33 -3.847 1.564 -0.102 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.821 -1.242 0.087 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -5.221 0.948 1.684 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -5.080 -0.715 2.217 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.573 0.771 1.463 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -2.400 1.627 3.794 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.801 2.324 2.947 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -4.037 1.016 4.130 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -1.608 -0.633 3.258 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -3.222 -1.300 3.598 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -2.440 -1.618 2.031 1.00 10.00 H new ATOM 551 N GLN A 34 -6.820 0.010 -0.588 1.00 10.00 N ATOM 552 CA GLN A 34 -8.118 -0.322 -1.189 1.00 10.00 C ATOM 553 C GLN A 34 -8.016 -0.753 -2.662 1.00 10.00 C ATOM 554 O GLN A 34 -8.941 -1.398 -3.158 1.00 10.00 O ATOM 555 CB GLN A 34 -9.085 0.862 -1.036 1.00 10.00 C ATOM 556 CG GLN A 34 -9.539 1.032 0.424 1.00 10.00 C ATOM 557 CD GLN A 34 -10.319 2.328 0.621 1.00 10.00 C ATOM 558 OE1 GLN A 34 -11.542 2.360 0.683 1.00 10.00 O ATOM 559 NE2 GLN A 34 -9.632 3.446 0.718 1.00 10.00 N ATOM 0 H GLN A 34 -6.709 1.001 -0.372 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.505 -1.186 -0.648 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.599 1.777 -1.376 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -9.956 0.707 -1.673 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -10.161 0.185 0.714 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -8.668 1.027 1.080 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -8.613 3.425 0.667 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -10.118 4.334 0.844 1.00 10.00 H new ATOM 568 N GLN A 35 -6.906 -0.466 -3.361 1.00 10.00 N ATOM 569 CA GLN A 35 -6.663 -1.026 -4.694 1.00 10.00 C ATOM 570 C GLN A 35 -6.155 -2.470 -4.594 1.00 10.00 C ATOM 571 O GLN A 35 -6.673 -3.348 -5.284 1.00 10.00 O ATOM 572 CB GLN A 35 -5.714 -0.111 -5.499 1.00 10.00 C ATOM 573 CG GLN A 35 -5.097 -0.840 -6.701 1.00 10.00 C ATOM 574 CD GLN A 35 -4.266 0.019 -7.648 1.00 10.00 C ATOM 575 OE1 GLN A 35 -4.239 1.244 -7.609 1.00 10.00 O ATOM 576 NE2 GLN A 35 -3.545 -0.620 -8.544 1.00 10.00 N ATOM 0 H GLN A 35 -6.166 0.149 -3.023 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.605 -1.066 -5.241 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -6.263 0.764 -5.848 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -4.919 0.251 -4.847 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -4.467 -1.647 -6.327 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -5.902 -1.302 -7.273 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -3.564 -1.639 -8.581 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -2.967 -0.096 -9.202 1.00 10.00 H new ATOM 585 N ILE A 36 -5.194 -2.742 -3.707 1.00 10.00 N ATOM 586 CA ILE A 36 -4.679 -4.095 -3.461 1.00 10.00 C ATOM 587 C ILE A 36 -5.824 -5.019 -3.014 1.00 10.00 C ATOM 588 O ILE A 36 -5.924 -6.141 -3.501 1.00 10.00 O ATOM 589 CB ILE A 36 -3.505 -4.059 -2.464 1.00 10.00 C ATOM 590 CG1 ILE A 36 -2.335 -3.205 -3.012 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.980 -5.485 -2.189 1.00 10.00 C ATOM 592 CD1 ILE A 36 -1.476 -2.632 -1.883 1.00 10.00 C ATOM 0 H ILE A 36 -4.747 -2.026 -3.135 1.00 10.00 H new ATOM 0 HA ILE A 36 -4.278 -4.508 -4.387 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.879 -3.616 -1.541 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.714 -3.816 -3.667 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.732 -2.390 -3.617 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -2.151 -5.438 -1.483 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.781 -6.093 -1.768 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.637 -5.932 -3.122 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.666 -2.039 -2.307 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -2.091 -2.000 -1.243 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -1.058 -3.448 -1.294 1.00 10.00 H new ATOM 604 N GLY A 37 -6.779 -4.525 -2.216 1.00 10.00 N ATOM 605 CA GLY A 37 -7.999 -5.253 -1.835 1.00 10.00 C ATOM 606 C GLY A 37 -8.974 -5.578 -2.984 1.00 10.00 C ATOM 607 O GLY A 37 -9.987 -6.238 -2.746 1.00 10.00 O ATOM 0 H GLY A 37 -6.726 -3.591 -1.809 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.707 -6.188 -1.357 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.532 -4.665 -1.087 1.00 10.00 H new ATOM 611 N ARG A 38 -8.677 -5.149 -4.220 1.00 10.00 N ATOM 612 CA ARG A 38 -9.439 -5.413 -5.455 1.00 10.00 C ATOM 613 C ARG A 38 -8.619 -6.123 -6.550 1.00 10.00 C ATOM 614 O ARG A 38 -9.158 -6.396 -7.623 1.00 10.00 O ATOM 615 CB ARG A 38 -10.024 -4.086 -5.963 1.00 10.00 C ATOM 616 CG ARG A 38 -11.011 -3.448 -4.981 1.00 10.00 C ATOM 617 CD ARG A 38 -12.339 -4.206 -4.843 1.00 10.00 C ATOM 618 NE ARG A 38 -13.088 -4.297 -6.115 1.00 10.00 N ATOM 619 CZ ARG A 38 -13.899 -3.391 -6.637 1.00 10.00 C ATOM 620 NH1 ARG A 38 -14.138 -2.248 -6.057 1.00 10.00 N ATOM 621 NH2 ARG A 38 -14.494 -3.621 -7.773 1.00 10.00 N ATOM 0 H ARG A 38 -7.852 -4.576 -4.397 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.240 -6.111 -5.211 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -9.210 -3.387 -6.156 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -10.528 -4.259 -6.914 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -10.539 -3.382 -4.000 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -11.219 -2.428 -5.304 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -12.140 -5.212 -4.472 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -12.959 -3.708 -4.097 1.00 10.00 H new ATOM 0 HE ARG A 38 -12.965 -5.156 -6.651 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -13.693 -2.025 -5.167 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -14.770 -1.577 -6.493 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -14.335 -4.502 -8.263 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -15.119 -2.921 -8.173 1.00 10.00 H new ATOM 635 N GLU A 39 -7.351 -6.465 -6.289 1.00 10.00 N ATOM 636 CA GLU A 39 -6.481 -7.215 -7.225 1.00 10.00 C ATOM 637 C GLU A 39 -5.644 -8.333 -6.571 1.00 10.00 C ATOM 638 O GLU A 39 -5.332 -9.333 -7.221 1.00 10.00 O ATOM 639 CB GLU A 39 -5.610 -6.250 -8.046 1.00 10.00 C ATOM 640 CG GLU A 39 -4.491 -5.558 -7.263 1.00 10.00 C ATOM 641 CD GLU A 39 -3.620 -4.686 -8.191 1.00 10.00 C ATOM 642 OE1 GLU A 39 -2.662 -5.222 -8.803 1.00 10.00 O ATOM 643 OE2 GLU A 39 -3.875 -3.463 -8.317 1.00 10.00 O ATOM 0 H GLU A 39 -6.887 -6.229 -5.412 1.00 10.00 H new ATOM 0 HA GLU A 39 -7.155 -7.743 -7.899 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -5.165 -6.802 -8.874 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -6.254 -5.486 -8.482 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -4.923 -4.939 -6.477 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -3.869 -6.307 -6.773 1.00 10.00 H new ATOM 650 N ASN A 40 -5.345 -8.208 -5.275 1.00 10.00 N ATOM 651 CA ASN A 40 -4.808 -9.264 -4.413 1.00 10.00 C ATOM 652 C ASN A 40 -5.305 -9.111 -2.952 1.00 10.00 C ATOM 653 O ASN A 40 -4.546 -8.669 -2.082 1.00 10.00 O ATOM 654 CB ASN A 40 -3.268 -9.300 -4.509 1.00 10.00 C ATOM 655 CG ASN A 40 -2.709 -10.630 -4.026 1.00 10.00 C ATOM 656 OD1 ASN A 40 -3.270 -11.303 -3.172 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.594 -11.067 -4.565 1.00 10.00 N ATOM 0 H ASN A 40 -5.477 -7.328 -4.776 1.00 10.00 H new ATOM 0 HA ASN A 40 -5.183 -10.225 -4.765 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -2.963 -9.130 -5.541 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -2.846 -8.490 -3.914 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -1.202 -11.962 -4.271 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -1.120 -10.512 -5.278 1.00 10.00 H new ATOM 664 N PRO A 41 -6.571 -9.463 -2.645 1.00 10.00 N ATOM 665 CA PRO A 41 -7.119 -9.447 -1.282 1.00 10.00 C ATOM 666 C PRO A 41 -6.241 -10.132 -0.218 1.00 10.00 C ATOM 667 O PRO A 41 -6.198 -9.693 0.931 1.00 10.00 O ATOM 668 CB PRO A 41 -8.485 -10.126 -1.389 1.00 10.00 C ATOM 669 CG PRO A 41 -8.910 -9.804 -2.814 1.00 10.00 C ATOM 670 CD PRO A 41 -7.595 -9.913 -3.575 1.00 10.00 C ATOM 0 HA PRO A 41 -7.176 -8.417 -0.931 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -8.417 -11.201 -1.220 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -9.191 -9.732 -0.658 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -9.655 -10.508 -3.185 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.345 -8.808 -2.894 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -7.411 -10.938 -3.896 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -7.609 -9.295 -4.473 1.00 10.00 H new ATOM 678 N GLN A 42 -5.509 -11.181 -0.598 1.00 10.00 N ATOM 679 CA GLN A 42 -4.599 -11.915 0.291 1.00 10.00 C ATOM 680 C GLN A 42 -3.368 -11.075 0.645 1.00 10.00 C ATOM 681 O GLN A 42 -3.026 -10.948 1.821 1.00 10.00 O ATOM 682 CB GLN A 42 -4.152 -13.227 -0.369 1.00 10.00 C ATOM 683 CG GLN A 42 -5.339 -14.041 -0.898 1.00 10.00 C ATOM 684 CD GLN A 42 -4.912 -15.419 -1.398 1.00 10.00 C ATOM 685 OE1 GLN A 42 -5.017 -16.425 -0.706 1.00 10.00 O ATOM 686 NE2 GLN A 42 -4.409 -15.527 -2.611 1.00 10.00 N ATOM 0 H GLN A 42 -5.530 -11.553 -1.548 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.142 -12.136 1.210 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.471 -13.005 -1.190 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -3.596 -13.825 0.354 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -6.080 -14.156 -0.107 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -5.820 -13.494 -1.709 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -4.315 -14.699 -3.200 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -4.114 -16.438 -2.961 1.00 10.00 H new ATOM 695 N LEU A 43 -2.740 -10.441 -0.354 1.00 10.00 N ATOM 696 CA LEU A 43 -1.654 -9.486 -0.131 1.00 10.00 C ATOM 697 C LEU A 43 -2.120 -8.283 0.692 1.00 10.00 C ATOM 698 O LEU A 43 -1.345 -7.732 1.468 1.00 10.00 O ATOM 699 CB LEU A 43 -1.099 -9.009 -1.482 1.00 10.00 C ATOM 700 CG LEU A 43 0.220 -8.221 -1.405 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.309 -8.924 -0.590 1.00 10.00 C ATOM 702 CD2 LEU A 43 0.747 -7.992 -2.820 1.00 10.00 C ATOM 0 H LEU A 43 -2.973 -10.578 -1.338 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.871 -9.993 0.433 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.948 -9.878 -2.122 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.850 -8.384 -1.965 1.00 10.00 H new ATOM 0 HG LEU A 43 -0.007 -7.283 -0.898 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.209 -8.310 -0.580 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.960 -9.073 0.432 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.534 -9.890 -1.041 1.00 10.00 H new ATOM 0 HD21 LEU A 43 1.682 -7.434 -2.774 1.00 10.00 H new ATOM 0 HD22 LEU A 43 0.922 -8.953 -3.303 1.00 10.00 H new ATOM 0 HD23 LEU A 43 0.014 -7.425 -3.394 1.00 10.00 H new ATOM 714 N LEU A 44 -3.391 -7.898 0.560 1.00 10.00 N ATOM 715 CA LEU A 44 -3.943 -6.775 1.329 1.00 10.00 C ATOM 716 C LEU A 44 -3.999 -7.109 2.819 1.00 10.00 C ATOM 717 O LEU A 44 -3.411 -6.423 3.651 1.00 10.00 O ATOM 718 CB LEU A 44 -5.339 -6.414 0.801 1.00 10.00 C ATOM 719 CG LEU A 44 -5.898 -5.044 1.232 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.935 -5.170 2.338 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.873 -3.982 1.643 1.00 10.00 C ATOM 0 H LEU A 44 -4.058 -8.344 -0.070 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.287 -5.914 1.205 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.312 -6.445 -0.288 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -6.037 -7.186 1.124 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.350 -4.684 0.308 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -7.300 -4.179 2.609 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.767 -5.781 1.988 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.481 -5.640 3.210 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -5.392 -3.065 1.924 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -4.293 -4.345 2.491 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -4.204 -3.779 0.807 1.00 10.00 H new ATOM 733 N GLN A 45 -4.650 -8.224 3.137 1.00 10.00 N ATOM 734 CA GLN A 45 -4.664 -8.796 4.492 1.00 10.00 C ATOM 735 C GLN A 45 -3.250 -9.040 5.066 1.00 10.00 C ATOM 736 O GLN A 45 -3.027 -8.825 6.260 1.00 10.00 O ATOM 737 CB GLN A 45 -5.497 -10.090 4.514 1.00 10.00 C ATOM 738 CG GLN A 45 -7.002 -9.856 4.286 1.00 10.00 C ATOM 739 CD GLN A 45 -7.660 -8.987 5.361 1.00 10.00 C ATOM 740 OE1 GLN A 45 -7.409 -9.111 6.554 1.00 10.00 O ATOM 741 NE2 GLN A 45 -8.523 -8.065 4.988 1.00 10.00 N ATOM 0 H GLN A 45 -5.189 -8.765 2.461 1.00 10.00 H new ATOM 0 HA GLN A 45 -5.129 -8.055 5.142 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -5.122 -10.767 3.746 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -5.356 -10.587 5.474 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -7.144 -9.385 3.313 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.509 -10.820 4.250 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -8.746 -7.945 4.000 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.968 -7.471 5.687 1.00 10.00 H new ATOM 750 N GLN A 46 -2.270 -9.416 4.233 1.00 10.00 N ATOM 751 CA GLN A 46 -0.864 -9.543 4.644 1.00 10.00 C ATOM 752 C GLN A 46 -0.219 -8.185 4.963 1.00 10.00 C ATOM 753 O GLN A 46 0.448 -8.042 5.985 1.00 10.00 O ATOM 754 CB GLN A 46 -0.067 -10.237 3.536 1.00 10.00 C ATOM 755 CG GLN A 46 -0.313 -11.754 3.503 1.00 10.00 C ATOM 756 CD GLN A 46 0.290 -12.436 2.273 1.00 10.00 C ATOM 757 OE1 GLN A 46 1.102 -11.888 1.538 1.00 10.00 O ATOM 758 NE2 GLN A 46 -0.087 -13.665 1.992 1.00 10.00 N ATOM 0 H GLN A 46 -2.430 -9.642 3.251 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.846 -10.137 5.558 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.338 -9.806 2.572 1.00 10.00 H new ATOM 0 HB3 GLN A 46 0.996 -10.047 3.683 1.00 10.00 H new ATOM 0 HG2 GLN A 46 0.108 -12.203 4.402 1.00 10.00 H new ATOM 0 HG3 GLN A 46 -1.386 -11.942 3.525 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -0.762 -14.141 2.590 1.00 10.00 H new ATOM 0 HE22 GLN A 46 0.296 -14.142 1.176 1.00 10.00 H new ATOM 767 N ILE A 47 -0.449 -7.167 4.133 1.00 10.00 N ATOM 768 CA ILE A 47 -0.034 -5.784 4.397 1.00 10.00 C ATOM 769 C ILE A 47 -0.668 -5.253 5.689 1.00 10.00 C ATOM 770 O ILE A 47 0.014 -4.586 6.460 1.00 10.00 O ATOM 771 CB ILE A 47 -0.330 -4.902 3.170 1.00 10.00 C ATOM 772 CG1 ILE A 47 0.695 -5.249 2.068 1.00 10.00 C ATOM 773 CG2 ILE A 47 -0.259 -3.405 3.507 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.281 -4.725 0.696 1.00 10.00 C ATOM 0 H ILE A 47 -0.936 -7.279 3.244 1.00 10.00 H new ATOM 0 HA ILE A 47 1.043 -5.756 4.560 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.346 -5.101 2.829 1.00 10.00 H new ATOM 0 HG12 ILE A 47 1.666 -4.831 2.335 1.00 10.00 H new ATOM 0 HG13 ILE A 47 0.817 -6.331 2.018 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.474 -2.820 2.613 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -0.992 -3.171 4.279 1.00 10.00 H new ATOM 0 HG23 ILE A 47 0.740 -3.160 3.869 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.037 -4.997 -0.041 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.676 -5.163 0.413 1.00 10.00 H new ATOM 0 HD13 ILE A 47 0.186 -3.640 0.735 1.00 10.00 H new ATOM 786 N SER A 48 -1.922 -5.601 5.992 1.00 10.00 N ATOM 787 CA SER A 48 -2.574 -5.211 7.255 1.00 10.00 C ATOM 788 C SER A 48 -1.902 -5.831 8.490 1.00 10.00 C ATOM 789 O SER A 48 -1.804 -5.182 9.532 1.00 10.00 O ATOM 790 CB SER A 48 -4.063 -5.581 7.249 1.00 10.00 C ATOM 791 OG SER A 48 -4.753 -4.860 6.241 1.00 10.00 O ATOM 0 H SER A 48 -2.515 -6.158 5.376 1.00 10.00 H new ATOM 0 HA SER A 48 -2.466 -4.129 7.323 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.176 -6.652 7.080 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.501 -5.364 8.223 1.00 10.00 H new ATOM 0 HG SER A 48 -4.468 -5.177 5.359 1.00 10.00 H new ATOM 797 N GLN A 49 -1.384 -7.060 8.381 1.00 10.00 N ATOM 798 CA GLN A 49 -0.626 -7.774 9.395 1.00 10.00 C ATOM 799 C GLN A 49 0.848 -7.299 9.504 1.00 10.00 C ATOM 800 O GLN A 49 1.519 -7.602 10.494 1.00 10.00 O ATOM 801 CB GLN A 49 -0.798 -9.241 8.980 1.00 10.00 C ATOM 802 CG GLN A 49 0.029 -10.260 9.736 1.00 10.00 C ATOM 803 CD GLN A 49 -0.334 -10.390 11.216 1.00 10.00 C ATOM 804 OE1 GLN A 49 -1.170 -11.194 11.613 1.00 10.00 O ATOM 805 NE2 GLN A 49 0.270 -9.615 12.090 1.00 10.00 N ATOM 0 H GLN A 49 -1.494 -7.609 7.528 1.00 10.00 H new ATOM 0 HA GLN A 49 -0.983 -7.594 10.409 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -1.850 -9.506 9.091 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -0.558 -9.326 7.920 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -0.088 -11.233 9.258 1.00 10.00 H new ATOM 0 HG3 GLN A 49 1.082 -9.989 9.654 1.00 10.00 H new ATOM 0 HE21 GLN A 49 0.968 -8.941 11.777 1.00 10.00 H new ATOM 0 HE22 GLN A 49 0.040 -9.688 13.081 1.00 10.00 H new ATOM 814 N HIS A 50 1.347 -6.519 8.536 1.00 10.00 N ATOM 815 CA HIS A 50 2.748 -6.070 8.430 1.00 10.00 C ATOM 816 C HIS A 50 2.868 -4.556 8.138 1.00 10.00 C ATOM 817 O HIS A 50 3.851 -4.107 7.543 1.00 10.00 O ATOM 818 CB HIS A 50 3.464 -6.909 7.352 1.00 10.00 C ATOM 819 CG HIS A 50 3.478 -8.402 7.586 1.00 10.00 C ATOM 820 ND1 HIS A 50 3.814 -9.055 8.753 1.00 10.00 N ATOM 821 CD2 HIS A 50 3.218 -9.367 6.650 1.00 10.00 C ATOM 822 CE1 HIS A 50 3.750 -10.378 8.527 1.00 10.00 C ATOM 823 NE2 HIS A 50 3.390 -10.620 7.253 1.00 10.00 N ATOM 0 H HIS A 50 0.766 -6.168 7.774 1.00 10.00 H new ATOM 0 HA HIS A 50 3.231 -6.224 9.395 1.00 10.00 H new ATOM 0 HB2 HIS A 50 2.988 -6.715 6.391 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.494 -6.562 7.273 1.00 10.00 H new ATOM 0 HD2 HIS A 50 2.930 -9.192 5.624 1.00 10.00 H new ATOM 0 HE1 HIS A 50 3.958 -11.140 9.264 1.00 10.00 H new ATOM 0 HE2 HIS A 50 3.267 -11.533 6.814 1.00 10.00 H new ATOM 831 N GLN A 51 1.865 -3.754 8.509 1.00 10.00 N ATOM 832 CA GLN A 51 1.686 -2.390 7.993 1.00 10.00 C ATOM 833 C GLN A 51 2.849 -1.435 8.318 1.00 10.00 C ATOM 834 O GLN A 51 3.183 -0.572 7.509 1.00 10.00 O ATOM 835 CB GLN A 51 0.339 -1.843 8.498 1.00 10.00 C ATOM 836 CG GLN A 51 -0.212 -0.765 7.551 1.00 10.00 C ATOM 837 CD GLN A 51 -1.561 -0.190 7.988 1.00 10.00 C ATOM 838 OE1 GLN A 51 -2.090 -0.455 9.061 1.00 10.00 O ATOM 839 NE2 GLN A 51 -2.180 0.630 7.165 1.00 10.00 N ATOM 0 H GLN A 51 1.149 -4.033 9.180 1.00 10.00 H new ATOM 0 HA GLN A 51 1.684 -2.448 6.905 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.379 -2.659 8.582 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.465 -1.424 9.496 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.512 0.047 7.479 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.315 -1.190 6.553 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -1.759 0.865 6.266 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -3.081 1.030 7.426 1.00 10.00 H new ATOM 848 N GLU A 52 3.517 -1.613 9.461 1.00 10.00 N ATOM 849 CA GLU A 52 4.718 -0.844 9.824 1.00 10.00 C ATOM 850 C GLU A 52 5.922 -1.152 8.915 1.00 10.00 C ATOM 851 O GLU A 52 6.735 -0.265 8.647 1.00 10.00 O ATOM 852 CB GLU A 52 5.092 -1.104 11.292 1.00 10.00 C ATOM 853 CG GLU A 52 4.027 -0.581 12.267 1.00 10.00 C ATOM 854 CD GLU A 52 4.474 -0.766 13.729 1.00 10.00 C ATOM 855 OE1 GLU A 52 4.200 -1.837 14.325 1.00 10.00 O ATOM 856 OE2 GLU A 52 5.099 0.162 14.301 1.00 10.00 O ATOM 0 H GLU A 52 3.241 -2.297 10.166 1.00 10.00 H new ATOM 0 HA GLU A 52 4.471 0.209 9.685 1.00 10.00 H new ATOM 0 HB2 GLU A 52 5.228 -2.175 11.446 1.00 10.00 H new ATOM 0 HB3 GLU A 52 6.047 -0.627 11.511 1.00 10.00 H new ATOM 0 HG2 GLU A 52 3.838 0.475 12.072 1.00 10.00 H new ATOM 0 HG3 GLU A 52 3.088 -1.108 12.101 1.00 10.00 H new ATOM 863 N HIS A 53 6.040 -2.380 8.397 1.00 10.00 N ATOM 864 CA HIS A 53 7.043 -2.736 7.387 1.00 10.00 C ATOM 865 C HIS A 53 6.664 -2.180 6.008 1.00 10.00 C ATOM 866 O HIS A 53 7.526 -1.638 5.316 1.00 10.00 O ATOM 867 CB HIS A 53 7.232 -4.260 7.331 1.00 10.00 C ATOM 868 CG HIS A 53 7.766 -4.845 8.614 1.00 10.00 C ATOM 869 ND1 HIS A 53 7.069 -5.615 9.518 1.00 10.00 N ATOM 870 CD2 HIS A 53 9.041 -4.711 9.098 1.00 10.00 C ATOM 871 CE1 HIS A 53 7.899 -5.937 10.525 1.00 10.00 C ATOM 872 NE2 HIS A 53 9.118 -5.405 10.314 1.00 10.00 N ATOM 0 H HIS A 53 5.439 -3.159 8.668 1.00 10.00 H new ATOM 0 HA HIS A 53 7.991 -2.282 7.677 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.276 -4.729 7.097 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.915 -4.504 6.517 1.00 10.00 H new ATOM 0 HD2 HIS A 53 9.845 -4.166 8.626 1.00 10.00 H new ATOM 0 HE1 HIS A 53 7.627 -6.537 11.381 1.00 10.00 H new ATOM 0 HE2 HIS A 53 9.935 -5.490 10.919 1.00 10.00 H new ATOM 880 N PHE A 54 5.379 -2.224 5.629 1.00 10.00 N ATOM 881 CA PHE A 54 4.883 -1.587 4.403 1.00 10.00 C ATOM 882 C PHE A 54 5.150 -0.085 4.389 1.00 10.00 C ATOM 883 O PHE A 54 5.708 0.396 3.413 1.00 10.00 O ATOM 884 CB PHE A 54 3.394 -1.912 4.201 1.00 10.00 C ATOM 885 CG PHE A 54 2.782 -1.401 2.903 1.00 10.00 C ATOM 886 CD1 PHE A 54 3.375 -1.710 1.663 1.00 10.00 C ATOM 887 CD2 PHE A 54 1.585 -0.656 2.929 1.00 10.00 C ATOM 888 CE1 PHE A 54 2.781 -1.277 0.463 1.00 10.00 C ATOM 889 CE2 PHE A 54 0.980 -0.245 1.728 1.00 10.00 C ATOM 890 CZ PHE A 54 1.579 -0.551 0.494 1.00 10.00 C ATOM 0 H PHE A 54 4.655 -2.703 6.165 1.00 10.00 H new ATOM 0 HA PHE A 54 5.436 -1.999 3.559 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.267 -2.994 4.241 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.832 -1.494 5.036 1.00 10.00 H new ATOM 0 HD1 PHE A 54 4.290 -2.282 1.633 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.131 -0.400 3.875 1.00 10.00 H new ATOM 0 HE1 PHE A 54 3.250 -1.503 -0.483 1.00 10.00 H new ATOM 0 HE2 PHE A 54 0.052 0.307 1.754 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.117 -0.229 -0.427 1.00 10.00 H new ATOM 900 N ILE A 55 4.862 0.637 5.474 1.00 10.00 N ATOM 901 CA ILE A 55 5.146 2.077 5.611 1.00 10.00 C ATOM 902 C ILE A 55 6.648 2.404 5.485 1.00 10.00 C ATOM 903 O ILE A 55 7.001 3.426 4.895 1.00 10.00 O ATOM 904 CB ILE A 55 4.485 2.603 6.898 1.00 10.00 C ATOM 905 CG1 ILE A 55 2.967 2.709 6.616 1.00 10.00 C ATOM 906 CG2 ILE A 55 5.058 3.956 7.361 1.00 10.00 C ATOM 907 CD1 ILE A 55 2.127 2.972 7.863 1.00 10.00 C ATOM 0 H ILE A 55 4.417 0.235 6.299 1.00 10.00 H new ATOM 0 HA ILE A 55 4.700 2.613 4.773 1.00 10.00 H new ATOM 0 HB ILE A 55 4.690 1.913 7.717 1.00 10.00 H new ATOM 0 HG12 ILE A 55 2.795 3.511 5.898 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.628 1.784 6.149 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.551 4.273 8.272 1.00 10.00 H new ATOM 0 HG22 ILE A 55 6.125 3.851 7.557 1.00 10.00 H new ATOM 0 HG23 ILE A 55 4.904 4.702 6.582 1.00 10.00 H new ATOM 0 HD11 ILE A 55 1.074 3.034 7.586 1.00 10.00 H new ATOM 0 HD12 ILE A 55 2.268 2.159 8.575 1.00 10.00 H new ATOM 0 HD13 ILE A 55 2.438 3.912 8.320 1.00 10.00 H new ATOM 919 N GLN A 56 7.548 1.535 5.958 1.00 10.00 N ATOM 920 CA GLN A 56 8.994 1.693 5.742 1.00 10.00 C ATOM 921 C GLN A 56 9.399 1.408 4.285 1.00 10.00 C ATOM 922 O GLN A 56 10.100 2.220 3.685 1.00 10.00 O ATOM 923 CB GLN A 56 9.768 0.783 6.709 1.00 10.00 C ATOM 924 CG GLN A 56 9.712 1.306 8.153 1.00 10.00 C ATOM 925 CD GLN A 56 10.255 0.279 9.142 1.00 10.00 C ATOM 926 OE1 GLN A 56 11.443 0.210 9.433 1.00 10.00 O ATOM 927 NE2 GLN A 56 9.406 -0.564 9.688 1.00 10.00 N ATOM 0 H GLN A 56 7.299 0.707 6.498 1.00 10.00 H new ATOM 0 HA GLN A 56 9.249 2.734 5.943 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.353 -0.224 6.671 1.00 10.00 H new ATOM 0 HB3 GLN A 56 10.807 0.712 6.388 1.00 10.00 H new ATOM 0 HG2 GLN A 56 10.290 2.227 8.230 1.00 10.00 H new ATOM 0 HG3 GLN A 56 8.682 1.553 8.412 1.00 10.00 H new ATOM 0 HE21 GLN A 56 8.415 -0.514 9.452 1.00 10.00 H new ATOM 0 HE22 GLN A 56 9.739 -1.267 10.348 1.00 10.00 H new ATOM 936 N MET A 57 8.921 0.318 3.674 1.00 10.00 N ATOM 937 CA MET A 57 9.190 -0.022 2.262 1.00 10.00 C ATOM 938 C MET A 57 8.618 1.023 1.289 1.00 10.00 C ATOM 939 O MET A 57 9.229 1.345 0.272 1.00 10.00 O ATOM 940 CB MET A 57 8.614 -1.412 1.947 1.00 10.00 C ATOM 941 CG MET A 57 9.356 -2.516 2.708 1.00 10.00 C ATOM 942 SD MET A 57 8.557 -4.140 2.639 1.00 10.00 S ATOM 943 CE MET A 57 9.581 -4.995 3.868 1.00 10.00 C ATOM 0 H MET A 57 8.329 -0.364 4.147 1.00 10.00 H new ATOM 0 HA MET A 57 10.271 -0.028 2.124 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.556 -1.436 2.209 1.00 10.00 H new ATOM 0 HB3 MET A 57 8.681 -1.600 0.875 1.00 10.00 H new ATOM 0 HG2 MET A 57 10.365 -2.604 2.304 1.00 10.00 H new ATOM 0 HG3 MET A 57 9.455 -2.217 3.752 1.00 10.00 H new ATOM 0 HE1 MET A 57 9.219 -6.015 3.997 1.00 10.00 H new ATOM 0 HE2 MET A 57 10.616 -5.018 3.527 1.00 10.00 H new ATOM 0 HE3 MET A 57 9.524 -4.467 4.820 1.00 10.00 H new ATOM 953 N LEU A 58 7.479 1.619 1.636 1.00 10.00 N ATOM 954 CA LEU A 58 6.863 2.788 1.004 1.00 10.00 C ATOM 955 C LEU A 58 7.778 4.022 0.981 1.00 10.00 C ATOM 956 O LEU A 58 7.784 4.781 0.012 1.00 10.00 O ATOM 957 CB LEU A 58 5.574 3.085 1.792 1.00 10.00 C ATOM 958 CG LEU A 58 4.331 2.399 1.218 1.00 10.00 C ATOM 959 CD1 LEU A 58 3.194 2.485 2.235 1.00 10.00 C ATOM 960 CD2 LEU A 58 3.901 3.113 -0.058 1.00 10.00 C ATOM 0 H LEU A 58 6.923 1.276 2.419 1.00 10.00 H new ATOM 0 HA LEU A 58 6.661 2.565 -0.044 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.709 2.767 2.826 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.409 4.162 1.809 1.00 10.00 H new ATOM 0 HG LEU A 58 4.561 1.356 1.000 1.00 10.00 H new ATOM 0 HD11 LEU A 58 2.307 1.998 1.831 1.00 10.00 H new ATOM 0 HD12 LEU A 58 3.493 1.987 3.158 1.00 10.00 H new ATOM 0 HD13 LEU A 58 2.970 3.531 2.443 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.016 2.625 -0.467 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.670 4.154 0.168 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.709 3.071 -0.788 1.00 10.00 H new ATOM 972 N ASN A 59 8.559 4.197 2.044 1.00 10.00 N ATOM 973 CA ASN A 59 9.525 5.283 2.244 1.00 10.00 C ATOM 974 C ASN A 59 10.934 4.987 1.678 1.00 10.00 C ATOM 975 O ASN A 59 11.721 5.919 1.496 1.00 10.00 O ATOM 976 CB ASN A 59 9.569 5.604 3.753 1.00 10.00 C ATOM 977 CG ASN A 59 8.529 6.644 4.132 1.00 10.00 C ATOM 978 OD1 ASN A 59 8.730 7.841 3.981 1.00 10.00 O ATOM 979 ND2 ASN A 59 7.383 6.232 4.622 1.00 10.00 N ATOM 0 H ASN A 59 8.537 3.552 2.834 1.00 10.00 H new ATOM 0 HA ASN A 59 9.189 6.149 1.675 1.00 10.00 H new ATOM 0 HB2 ASN A 59 9.398 4.692 4.325 1.00 10.00 H new ATOM 0 HB3 ASN A 59 10.562 5.967 4.020 1.00 10.00 H new ATOM 0 HD21 ASN A 59 6.664 6.909 4.875 1.00 10.00 H new ATOM 0 HD22 ASN A 59 7.212 5.235 4.749 1.00 10.00 H new ATOM 986 N GLU A 60 11.270 3.728 1.375 1.00 10.00 N ATOM 987 CA GLU A 60 12.510 3.357 0.669 1.00 10.00 C ATOM 988 C GLU A 60 12.550 3.895 -0.786 1.00 10.00 C ATOM 989 O GLU A 60 11.497 4.190 -1.364 1.00 10.00 O ATOM 990 CB GLU A 60 12.693 1.825 0.678 1.00 10.00 C ATOM 991 CG GLU A 60 13.161 1.298 2.040 1.00 10.00 C ATOM 992 CD GLU A 60 13.562 -0.187 1.956 1.00 10.00 C ATOM 993 OE1 GLU A 60 14.715 -0.486 1.558 1.00 10.00 O ATOM 994 OE2 GLU A 60 12.736 -1.067 2.298 1.00 10.00 O ATOM 0 H GLU A 60 10.685 2.927 1.614 1.00 10.00 H new ATOM 0 HA GLU A 60 13.336 3.825 1.206 1.00 10.00 H new ATOM 0 HB2 GLU A 60 11.750 1.348 0.412 1.00 10.00 H new ATOM 0 HB3 GLU A 60 13.419 1.544 -0.085 1.00 10.00 H new ATOM 0 HG2 GLU A 60 14.009 1.887 2.389 1.00 10.00 H new ATOM 0 HG3 GLU A 60 12.364 1.421 2.774 1.00 10.00 H new ATOM 1001 N PRO A 61 13.740 4.011 -1.414 1.00 10.00 N ATOM 1002 CA PRO A 61 13.896 4.472 -2.794 1.00 10.00 C ATOM 1003 C PRO A 61 13.002 3.785 -3.842 1.00 10.00 C ATOM 1004 O PRO A 61 12.607 2.621 -3.706 1.00 10.00 O ATOM 1005 CB PRO A 61 15.377 4.271 -3.127 1.00 10.00 C ATOM 1006 CG PRO A 61 16.089 4.342 -1.787 1.00 10.00 C ATOM 1007 CD PRO A 61 15.051 3.831 -0.799 1.00 10.00 C ATOM 0 HA PRO A 61 13.570 5.511 -2.846 1.00 10.00 H new ATOM 0 HB2 PRO A 61 15.546 3.311 -3.614 1.00 10.00 H new ATOM 0 HB3 PRO A 61 15.738 5.042 -3.808 1.00 10.00 H new ATOM 0 HG2 PRO A 61 16.988 3.725 -1.778 1.00 10.00 H new ATOM 0 HG3 PRO A 61 16.399 5.360 -1.552 1.00 10.00 H new ATOM 0 HD2 PRO A 61 15.226 2.780 -0.567 1.00 10.00 H new ATOM 0 HD3 PRO A 61 15.113 4.379 0.141 1.00 10.00 H new ATOM 1015 N VAL A 62 12.739 4.512 -4.929 1.00 10.00 N ATOM 1016 CA VAL A 62 11.938 4.125 -6.097 1.00 10.00 C ATOM 1017 C VAL A 62 12.720 4.405 -7.387 1.00 10.00 C ATOM 1018 O VAL A 62 13.221 5.515 -7.582 1.00 10.00 O ATOM 1019 CB VAL A 62 10.610 4.913 -6.115 1.00 10.00 C ATOM 1020 CG1 VAL A 62 9.551 4.219 -5.261 1.00 10.00 C ATOM 1021 CG2 VAL A 62 10.713 6.376 -5.643 1.00 10.00 C ATOM 0 H VAL A 62 13.107 5.458 -5.025 1.00 10.00 H new ATOM 0 HA VAL A 62 11.720 3.059 -6.034 1.00 10.00 H new ATOM 0 HB VAL A 62 10.330 4.931 -7.168 1.00 10.00 H new ATOM 0 HG11 VAL A 62 8.626 4.794 -5.291 1.00 10.00 H new ATOM 0 HG12 VAL A 62 9.368 3.217 -5.651 1.00 10.00 H new ATOM 0 HG13 VAL A 62 9.902 4.149 -4.231 1.00 10.00 H new ATOM 0 HG21 VAL A 62 9.730 6.844 -5.692 1.00 10.00 H new ATOM 0 HG22 VAL A 62 11.077 6.402 -4.616 1.00 10.00 H new ATOM 0 HG23 VAL A 62 11.405 6.918 -6.287 1.00 10.00 H new ATOM 1031 N GLN A 63 12.839 3.406 -8.268 1.00 10.00 N ATOM 1032 CA GLN A 63 13.594 3.491 -9.529 1.00 10.00 C ATOM 1033 C GLN A 63 12.945 2.650 -10.642 1.00 10.00 C ATOM 1034 O GLN A 63 12.598 1.487 -10.433 1.00 10.00 O ATOM 1035 CB GLN A 63 15.043 3.000 -9.323 1.00 10.00 C ATOM 1036 CG GLN A 63 15.883 3.877 -8.380 1.00 10.00 C ATOM 1037 CD GLN A 63 17.342 3.430 -8.346 1.00 10.00 C ATOM 1038 OE1 GLN A 63 18.185 3.889 -9.108 1.00 10.00 O ATOM 1039 NE2 GLN A 63 17.708 2.515 -7.469 1.00 10.00 N ATOM 0 H GLN A 63 12.405 2.494 -8.124 1.00 10.00 H new ATOM 0 HA GLN A 63 13.589 4.538 -9.832 1.00 10.00 H new ATOM 0 HB2 GLN A 63 15.017 1.985 -8.928 1.00 10.00 H new ATOM 0 HB3 GLN A 63 15.539 2.952 -10.293 1.00 10.00 H new ATOM 0 HG2 GLN A 63 15.828 4.916 -8.704 1.00 10.00 H new ATOM 0 HG3 GLN A 63 15.465 3.834 -7.374 1.00 10.00 H new ATOM 0 HE21 GLN A 63 17.021 2.121 -6.826 1.00 10.00 H new ATOM 0 HE22 GLN A 63 18.678 2.202 -7.434 1.00 10.00 H new ATOM 1048 N GLU A 64 12.842 3.215 -11.849 1.00 10.00 N ATOM 1049 CA GLU A 64 12.301 2.541 -13.048 1.00 10.00 C ATOM 1050 C GLU A 64 13.130 2.768 -14.334 1.00 10.00 C ATOM 1051 O GLU A 64 12.834 2.175 -15.376 1.00 10.00 O ATOM 1052 CB GLU A 64 10.826 2.942 -13.251 1.00 10.00 C ATOM 1053 CG GLU A 64 10.619 4.439 -13.536 1.00 10.00 C ATOM 1054 CD GLU A 64 9.160 4.728 -13.929 1.00 10.00 C ATOM 1055 OE1 GLU A 64 8.280 4.743 -13.036 1.00 10.00 O ATOM 1056 OE2 GLU A 64 8.877 4.933 -15.135 1.00 10.00 O ATOM 0 H GLU A 64 13.137 4.174 -12.030 1.00 10.00 H new ATOM 0 HA GLU A 64 12.369 1.470 -12.859 1.00 10.00 H new ATOM 0 HB2 GLU A 64 10.414 2.365 -14.078 1.00 10.00 H new ATOM 0 HB3 GLU A 64 10.260 2.671 -12.360 1.00 10.00 H new ATOM 0 HG2 GLU A 64 10.884 5.021 -12.653 1.00 10.00 H new ATOM 0 HG3 GLU A 64 11.285 4.756 -14.338 1.00 10.00 H new ATOM 1063 N ALA A 65 14.175 3.602 -14.269 1.00 10.00 N ATOM 1064 CA ALA A 65 15.086 3.935 -15.370 1.00 10.00 C ATOM 1065 C ALA A 65 16.452 4.421 -14.836 1.00 10.00 C ATOM 1066 O ALA A 65 16.585 4.756 -13.655 1.00 10.00 O ATOM 1067 CB ALA A 65 14.423 5.021 -16.236 1.00 10.00 C ATOM 0 H ALA A 65 14.420 4.086 -13.405 1.00 10.00 H new ATOM 0 HA ALA A 65 15.274 3.044 -15.969 1.00 10.00 H new ATOM 0 HB1 ALA A 65 15.085 5.283 -17.061 1.00 10.00 H new ATOM 0 HB2 ALA A 65 13.480 4.645 -16.633 1.00 10.00 H new ATOM 0 HB3 ALA A 65 14.233 5.906 -15.628 1.00 10.00 H new ATOM 1073 N GLY A 66 17.459 4.508 -15.714 1.00 10.00 N ATOM 1074 CA GLY A 66 18.797 5.031 -15.384 1.00 10.00 C ATOM 1075 C GLY A 66 18.861 6.560 -15.205 1.00 10.00 C ATOM 1076 O GLY A 66 19.808 7.073 -14.603 1.00 10.00 O ATOM 0 H GLY A 66 17.370 4.214 -16.687 1.00 10.00 H new ATOM 0 HA2 GLY A 66 19.142 4.556 -14.466 1.00 10.00 H new ATOM 0 HA3 GLY A 66 19.491 4.741 -16.173 1.00 10.00 H new ATOM 1080 N GLY A 67 17.856 7.289 -15.700 1.00 10.00 N ATOM 1081 CA GLY A 67 17.714 8.745 -15.580 1.00 10.00 C ATOM 1082 C GLY A 67 16.476 9.282 -16.312 1.00 10.00 C ATOM 1083 O GLY A 67 15.767 8.533 -16.988 1.00 10.00 O ATOM 0 H GLY A 67 17.087 6.864 -16.217 1.00 10.00 H new ATOM 0 HA2 GLY A 67 17.653 9.014 -14.526 1.00 10.00 H new ATOM 0 HA3 GLY A 67 18.606 9.227 -15.981 1.00 10.00 H new ATOM 1087 N GLN A 68 16.214 10.587 -16.184 1.00 10.00 N ATOM 1088 CA GLN A 68 15.074 11.268 -16.825 1.00 10.00 C ATOM 1089 C GLN A 68 15.180 11.321 -18.367 1.00 10.00 C ATOM 1090 O GLN A 68 14.161 11.357 -19.062 1.00 10.00 O ATOM 1091 CB GLN A 68 14.950 12.677 -16.215 1.00 10.00 C ATOM 1092 CG GLN A 68 13.648 13.399 -16.602 1.00 10.00 C ATOM 1093 CD GLN A 68 13.466 14.727 -15.865 1.00 10.00 C ATOM 1094 OE1 GLN A 68 14.391 15.507 -15.670 1.00 10.00 O ATOM 1095 NE2 GLN A 68 12.265 15.047 -15.423 1.00 10.00 N ATOM 0 H GLN A 68 16.794 11.213 -15.625 1.00 10.00 H new ATOM 0 HA GLN A 68 14.171 10.690 -16.628 1.00 10.00 H new ATOM 0 HB2 GLN A 68 15.005 12.601 -15.129 1.00 10.00 H new ATOM 0 HB3 GLN A 68 15.800 13.280 -16.536 1.00 10.00 H new ATOM 0 HG2 GLN A 68 13.645 13.581 -17.677 1.00 10.00 H new ATOM 0 HG3 GLN A 68 12.800 12.750 -16.386 1.00 10.00 H new ATOM 0 HE21 GLN A 68 11.480 14.413 -15.574 1.00 10.00 H new ATOM 0 HE22 GLN A 68 12.121 15.928 -14.930 1.00 10.00 H new ATOM 1104 N GLY A 69 16.403 11.299 -18.910 1.00 10.00 N ATOM 1105 CA GLY A 69 16.690 11.309 -20.349 1.00 10.00 C ATOM 1106 C GLY A 69 18.193 11.324 -20.665 1.00 10.00 C ATOM 1107 O GLY A 69 19.030 11.348 -19.756 1.00 10.00 O ATOM 0 H GLY A 69 17.249 11.273 -18.340 1.00 10.00 H new ATOM 0 HA2 GLY A 69 16.237 10.431 -20.810 1.00 10.00 H new ATOM 0 HA3 GLY A 69 16.221 12.183 -20.801 1.00 10.00 H new ATOM 1111 N GLY A 70 18.535 11.310 -21.957 1.00 10.00 N ATOM 1112 CA GLY A 70 19.921 11.414 -22.448 1.00 10.00 C ATOM 1113 C GLY A 70 20.148 10.860 -23.862 1.00 10.00 C ATOM 1114 O GLY A 70 21.032 11.337 -24.577 1.00 10.00 O ATOM 0 H GLY A 70 17.849 11.225 -22.707 1.00 10.00 H new ATOM 0 HA2 GLY A 70 20.219 12.462 -22.432 1.00 10.00 H new ATOM 0 HA3 GLY A 70 20.577 10.885 -21.756 1.00 10.00 H new ATOM 1118 N GLY A 71 19.348 9.873 -24.286 1.00 10.00 N ATOM 1119 CA GLY A 71 19.395 9.280 -25.634 1.00 10.00 C ATOM 1120 C GLY A 71 20.501 8.231 -25.857 1.00 10.00 C ATOM 1121 O GLY A 71 20.718 7.808 -26.996 1.00 10.00 O ATOM 0 H GLY A 71 18.634 9.454 -23.691 1.00 10.00 H new ATOM 0 HA2 GLY A 71 18.431 8.816 -25.842 1.00 10.00 H new ATOM 0 HA3 GLY A 71 19.527 10.082 -26.361 1.00 10.00 H new ATOM 1125 N GLY A 72 21.203 7.810 -24.795 1.00 10.00 N ATOM 1126 CA GLY A 72 22.290 6.817 -24.825 1.00 10.00 C ATOM 1127 C GLY A 72 22.922 6.592 -23.453 1.00 10.00 C ATOM 1128 O GLY A 72 24.009 7.155 -23.199 1.00 10.00 O ATOM 1129 OXT GLY A 72 22.317 5.863 -22.636 1.00 10.00 O ATOM 0 H GLY A 72 21.024 8.164 -23.856 1.00 10.00 H new ATOM 0 HA2 GLY A 72 21.901 5.871 -25.201 1.00 10.00 H new ATOM 0 HA3 GLY A 72 23.058 7.147 -25.525 1.00 10.00 H new TER 1133 GLY A 72