USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=7 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 56 GLN : amide:sc= 0.502 K(o=1,f=-2.3) USER MOD Set 1.2: A 59 ASN : amide:sc= 0.495 K(o=1,f=-1.8) USER MOD Set 2.1: A 46 GLN : amide:sc= 0 K(o=0.75,f=0.081) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.755 K(o=0.75,f=0.081) USER MOD Set 3.1: A 25 ASN : amide:sc=-0.000445 X(o=0.0033,f=0) USER MOD Set 3.2: A 27 SER OG : rot 180:sc= 0.00376 USER MOD Set 4.1: A 4 MET CE :methyl 165:sc= 0 (180deg=-0.0954) USER MOD Set 4.2: A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 1 GLY N :NH3+ 180:sc= 0.825 (180deg=0) USER MOD Set 5.2: A 3 HIS : no HE2:sc= 0.722 K(o=1.5,f=-0.65) USER MOD Single : A 2 SER OG : rot -73:sc= 1.24 USER MOD Single : A 11 ASN : amide:sc= 0.984 K(o=0.98,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.773 K(o=0.77,f=-0.49) USER MOD Single : A 14 GLN : amide:sc= -0.0715 X(o=-0.071,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= 1.26 K(o=1.3,f=-3.7!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 18 MET CE :methyl -171:sc= 0 (180deg=-0.0138) USER MOD Single : A 20 GLN : amide:sc= 1.42 K(o=1.4,f=-6.8!) USER MOD Single : A 23 GLN : amide:sc= 0.133 K(o=0.13,f=-1.3) USER MOD Single : A 24 GLN : amide:sc= 0.871 K(o=0.87,f=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 35 GLN : amide:sc= 1.17 K(o=1.2,f=-7.9!) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 45 GLN : amide:sc= 0.797 K(o=0.8,f=0) USER MOD Single : A 48 SER OG : rot 71:sc= 0.68 USER MOD Single : A 50 HIS : no HE2:sc= 0.966 K(o=0.97,f=-3.1!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 68 GLN : amide:sc= 0.838 K(o=0.84,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.890 -16.145 0.565 1.00 10.00 N ATOM 2 CA GLY A 1 15.566 -16.756 0.802 1.00 10.00 C ATOM 3 C GLY A 1 14.677 -15.869 1.664 1.00 10.00 C ATOM 4 O GLY A 1 14.861 -14.651 1.712 1.00 10.00 O ATOM 0 H1 GLY A 1 17.465 -16.780 -0.025 1.00 10.00 H new ATOM 0 H2 GLY A 1 16.770 -15.234 0.078 1.00 10.00 H new ATOM 0 H3 GLY A 1 17.369 -15.991 1.475 1.00 10.00 H new ATOM 0 HA2 GLY A 1 15.076 -16.942 -0.154 1.00 10.00 H new ATOM 0 HA3 GLY A 1 15.694 -17.723 1.288 1.00 10.00 H new ATOM 10 N SER A 2 13.693 -16.471 2.338 1.00 10.00 N ATOM 11 CA SER A 2 12.724 -15.790 3.217 1.00 10.00 C ATOM 12 C SER A 2 13.370 -15.260 4.509 1.00 10.00 C ATOM 13 O SER A 2 13.455 -15.973 5.513 1.00 10.00 O ATOM 14 CB SER A 2 11.557 -16.731 3.555 1.00 10.00 C ATOM 15 OG SER A 2 10.878 -17.136 2.378 1.00 10.00 O ATOM 0 H SER A 2 13.540 -17.478 2.289 1.00 10.00 H new ATOM 0 HA SER A 2 12.348 -14.926 2.668 1.00 10.00 H new ATOM 0 HB2 SER A 2 11.932 -17.607 4.083 1.00 10.00 H new ATOM 0 HB3 SER A 2 10.861 -16.228 4.226 1.00 10.00 H new ATOM 0 HG SER A 2 10.348 -16.388 2.032 1.00 10.00 H new ATOM 21 N HIS A 3 13.831 -14.005 4.484 1.00 10.00 N ATOM 22 CA HIS A 3 14.539 -13.344 5.598 1.00 10.00 C ATOM 23 C HIS A 3 13.896 -12.006 6.030 1.00 10.00 C ATOM 24 O HIS A 3 14.353 -11.377 6.987 1.00 10.00 O ATOM 25 CB HIS A 3 16.016 -13.146 5.214 1.00 10.00 C ATOM 26 CG HIS A 3 16.717 -14.385 4.702 1.00 10.00 C ATOM 27 ND1 HIS A 3 16.637 -15.658 5.223 1.00 10.00 N ATOM 28 CD2 HIS A 3 17.534 -14.453 3.606 1.00 10.00 C ATOM 29 CE1 HIS A 3 17.378 -16.477 4.457 1.00 10.00 C ATOM 30 NE2 HIS A 3 17.939 -15.787 3.445 1.00 10.00 N ATOM 0 H HIS A 3 13.722 -13.401 3.670 1.00 10.00 H new ATOM 0 HA HIS A 3 14.462 -13.998 6.466 1.00 10.00 H new ATOM 0 HB2 HIS A 3 16.076 -12.371 4.450 1.00 10.00 H new ATOM 0 HB3 HIS A 3 16.556 -12.776 6.086 1.00 10.00 H new ATOM 0 HD1 HIS A 3 16.106 -15.932 6.049 1.00 10.00 H new ATOM 0 HD2 HIS A 3 17.818 -13.624 2.975 1.00 10.00 H new ATOM 0 HE1 HIS A 3 17.505 -17.536 4.628 1.00 10.00 H new ATOM 38 N MET A 4 12.828 -11.576 5.346 1.00 10.00 N ATOM 39 CA MET A 4 12.046 -10.357 5.610 1.00 10.00 C ATOM 40 C MET A 4 10.555 -10.607 5.298 1.00 10.00 C ATOM 41 O MET A 4 10.251 -11.439 4.434 1.00 10.00 O ATOM 42 CB MET A 4 12.559 -9.201 4.726 1.00 10.00 C ATOM 43 CG MET A 4 13.964 -8.718 5.113 1.00 10.00 C ATOM 44 SD MET A 4 14.616 -7.345 4.117 1.00 10.00 S ATOM 45 CE MET A 4 13.513 -5.996 4.620 1.00 10.00 C ATOM 0 H MET A 4 12.464 -12.097 4.548 1.00 10.00 H new ATOM 0 HA MET A 4 12.159 -10.092 6.661 1.00 10.00 H new ATOM 0 HB2 MET A 4 12.568 -9.525 3.685 1.00 10.00 H new ATOM 0 HB3 MET A 4 11.863 -8.365 4.794 1.00 10.00 H new ATOM 0 HG2 MET A 4 13.949 -8.411 6.159 1.00 10.00 H new ATOM 0 HG3 MET A 4 14.653 -9.559 5.037 1.00 10.00 H new ATOM 0 HE1 MET A 4 13.940 -5.042 4.310 1.00 10.00 H new ATOM 0 HE2 MET A 4 12.539 -6.128 4.149 1.00 10.00 H new ATOM 0 HE3 MET A 4 13.397 -6.006 5.704 1.00 10.00 H new ATOM 55 N PRO A 5 9.613 -9.900 5.954 1.00 10.00 N ATOM 56 CA PRO A 5 8.183 -10.009 5.653 1.00 10.00 C ATOM 57 C PRO A 5 7.830 -9.367 4.297 1.00 10.00 C ATOM 58 O PRO A 5 8.607 -8.590 3.737 1.00 10.00 O ATOM 59 CB PRO A 5 7.481 -9.315 6.828 1.00 10.00 C ATOM 60 CG PRO A 5 8.483 -8.240 7.243 1.00 10.00 C ATOM 61 CD PRO A 5 9.831 -8.926 7.018 1.00 10.00 C ATOM 0 HA PRO A 5 7.865 -11.047 5.553 1.00 10.00 H new ATOM 0 HB2 PRO A 5 6.526 -8.882 6.529 1.00 10.00 H new ATOM 0 HB3 PRO A 5 7.275 -10.010 7.642 1.00 10.00 H new ATOM 0 HG2 PRO A 5 8.382 -7.339 6.638 1.00 10.00 H new ATOM 0 HG3 PRO A 5 8.349 -7.943 8.283 1.00 10.00 H new ATOM 0 HD2 PRO A 5 10.595 -8.202 6.734 1.00 10.00 H new ATOM 0 HD3 PRO A 5 10.177 -9.414 7.929 1.00 10.00 H new ATOM 69 N LEU A 6 6.622 -9.660 3.794 1.00 10.00 N ATOM 70 CA LEU A 6 6.027 -9.068 2.580 1.00 10.00 C ATOM 71 C LEU A 6 6.887 -9.199 1.300 1.00 10.00 C ATOM 72 O LEU A 6 6.817 -8.353 0.406 1.00 10.00 O ATOM 73 CB LEU A 6 5.609 -7.606 2.862 1.00 10.00 C ATOM 74 CG LEU A 6 4.718 -7.382 4.097 1.00 10.00 C ATOM 75 CD1 LEU A 6 4.497 -5.884 4.284 1.00 10.00 C ATOM 76 CD2 LEU A 6 3.361 -8.074 3.958 1.00 10.00 C ATOM 0 H LEU A 6 6.006 -10.342 4.237 1.00 10.00 H new ATOM 0 HA LEU A 6 5.141 -9.660 2.351 1.00 10.00 H new ATOM 0 HB2 LEU A 6 6.512 -7.007 2.978 1.00 10.00 H new ATOM 0 HB3 LEU A 6 5.084 -7.224 1.986 1.00 10.00 H new ATOM 0 HG LEU A 6 5.226 -7.812 4.960 1.00 10.00 H new ATOM 0 HD11 LEU A 6 3.867 -5.715 5.157 1.00 10.00 H new ATOM 0 HD12 LEU A 6 5.458 -5.390 4.429 1.00 10.00 H new ATOM 0 HD13 LEU A 6 4.009 -5.475 3.399 1.00 10.00 H new ATOM 0 HD21 LEU A 6 2.765 -7.889 4.852 1.00 10.00 H new ATOM 0 HD22 LEU A 6 2.839 -7.680 3.086 1.00 10.00 H new ATOM 0 HD23 LEU A 6 3.510 -9.147 3.837 1.00 10.00 H new ATOM 88 N GLU A 7 7.697 -10.260 1.187 1.00 10.00 N ATOM 89 CA GLU A 7 8.636 -10.486 0.069 1.00 10.00 C ATOM 90 C GLU A 7 8.001 -10.457 -1.337 1.00 10.00 C ATOM 91 O GLU A 7 8.687 -10.183 -2.323 1.00 10.00 O ATOM 92 CB GLU A 7 9.426 -11.790 0.289 1.00 10.00 C ATOM 93 CG GLU A 7 8.564 -13.064 0.264 1.00 10.00 C ATOM 94 CD GLU A 7 9.445 -14.324 0.354 1.00 10.00 C ATOM 95 OE1 GLU A 7 9.918 -14.815 -0.701 1.00 10.00 O ATOM 96 OE2 GLU A 7 9.669 -14.839 1.477 1.00 10.00 O ATOM 0 H GLU A 7 7.722 -11.005 1.884 1.00 10.00 H new ATOM 0 HA GLU A 7 9.313 -9.632 0.084 1.00 10.00 H new ATOM 0 HB2 GLU A 7 10.194 -11.870 -0.480 1.00 10.00 H new ATOM 0 HB3 GLU A 7 9.940 -11.732 1.248 1.00 10.00 H new ATOM 0 HG2 GLU A 7 7.859 -13.048 1.095 1.00 10.00 H new ATOM 0 HG3 GLU A 7 7.975 -13.092 -0.653 1.00 10.00 H new ATOM 103 N PHE A 8 6.686 -10.673 -1.444 1.00 10.00 N ATOM 104 CA PHE A 8 5.907 -10.538 -2.682 1.00 10.00 C ATOM 105 C PHE A 8 6.022 -9.144 -3.325 1.00 10.00 C ATOM 106 O PHE A 8 5.957 -9.017 -4.549 1.00 10.00 O ATOM 107 CB PHE A 8 4.433 -10.855 -2.377 1.00 10.00 C ATOM 108 CG PHE A 8 4.213 -12.127 -1.576 1.00 10.00 C ATOM 109 CD1 PHE A 8 4.418 -13.384 -2.177 1.00 10.00 C ATOM 110 CD2 PHE A 8 3.839 -12.054 -0.219 1.00 10.00 C ATOM 111 CE1 PHE A 8 4.249 -14.562 -1.427 1.00 10.00 C ATOM 112 CE2 PHE A 8 3.670 -13.233 0.531 1.00 10.00 C ATOM 113 CZ PHE A 8 3.876 -14.486 -0.072 1.00 10.00 C ATOM 0 H PHE A 8 6.115 -10.956 -0.647 1.00 10.00 H new ATOM 0 HA PHE A 8 6.317 -11.243 -3.405 1.00 10.00 H new ATOM 0 HB2 PHE A 8 4.000 -10.017 -1.830 1.00 10.00 H new ATOM 0 HB3 PHE A 8 3.890 -10.935 -3.319 1.00 10.00 H new ATOM 0 HD1 PHE A 8 4.706 -13.444 -3.216 1.00 10.00 H new ATOM 0 HD2 PHE A 8 3.682 -11.092 0.246 1.00 10.00 H new ATOM 0 HE1 PHE A 8 4.405 -15.525 -1.891 1.00 10.00 H new ATOM 0 HE2 PHE A 8 3.382 -13.175 1.570 1.00 10.00 H new ATOM 0 HZ PHE A 8 3.748 -15.390 0.504 1.00 10.00 H new ATOM 123 N LEU A 9 6.217 -8.091 -2.520 1.00 10.00 N ATOM 124 CA LEU A 9 6.406 -6.709 -2.985 1.00 10.00 C ATOM 125 C LEU A 9 7.764 -6.502 -3.672 1.00 10.00 C ATOM 126 O LEU A 9 7.862 -5.761 -4.649 1.00 10.00 O ATOM 127 CB LEU A 9 6.271 -5.755 -1.786 1.00 10.00 C ATOM 128 CG LEU A 9 4.857 -5.678 -1.186 1.00 10.00 C ATOM 129 CD1 LEU A 9 4.895 -4.827 0.081 1.00 10.00 C ATOM 130 CD2 LEU A 9 3.856 -5.039 -2.154 1.00 10.00 C ATOM 0 H LEU A 9 6.249 -8.178 -1.504 1.00 10.00 H new ATOM 0 HA LEU A 9 5.639 -6.497 -3.730 1.00 10.00 H new ATOM 0 HB2 LEU A 9 6.965 -6.071 -1.007 1.00 10.00 H new ATOM 0 HB3 LEU A 9 6.574 -4.755 -2.098 1.00 10.00 H new ATOM 0 HG LEU A 9 4.536 -6.698 -0.974 1.00 10.00 H new ATOM 0 HD11 LEU A 9 3.895 -4.769 0.511 1.00 10.00 H new ATOM 0 HD12 LEU A 9 5.574 -5.280 0.803 1.00 10.00 H new ATOM 0 HD13 LEU A 9 5.243 -3.824 -0.165 1.00 10.00 H new ATOM 0 HD21 LEU A 9 2.871 -5.005 -1.689 1.00 10.00 H new ATOM 0 HD22 LEU A 9 4.179 -4.026 -2.395 1.00 10.00 H new ATOM 0 HD23 LEU A 9 3.805 -5.631 -3.068 1.00 10.00 H new ATOM 142 N ARG A 10 8.802 -7.211 -3.211 1.00 10.00 N ATOM 143 CA ARG A 10 10.160 -7.210 -3.789 1.00 10.00 C ATOM 144 C ARG A 10 10.275 -8.028 -5.089 1.00 10.00 C ATOM 145 O ARG A 10 11.365 -8.149 -5.648 1.00 10.00 O ATOM 146 CB ARG A 10 11.158 -7.708 -2.721 1.00 10.00 C ATOM 147 CG ARG A 10 11.158 -6.906 -1.405 1.00 10.00 C ATOM 148 CD ARG A 10 11.464 -5.416 -1.612 1.00 10.00 C ATOM 149 NE ARG A 10 11.626 -4.719 -0.320 1.00 10.00 N ATOM 150 CZ ARG A 10 12.289 -3.596 -0.107 1.00 10.00 C ATOM 151 NH1 ARG A 10 12.846 -2.920 -1.071 1.00 10.00 N ATOM 152 NH2 ARG A 10 12.413 -3.127 1.102 1.00 10.00 N ATOM 0 H ARG A 10 8.721 -7.823 -2.399 1.00 10.00 H new ATOM 0 HA ARG A 10 10.399 -6.186 -4.076 1.00 10.00 H new ATOM 0 HB2 ARG A 10 10.934 -8.750 -2.494 1.00 10.00 H new ATOM 0 HB3 ARG A 10 12.162 -7.683 -3.144 1.00 10.00 H new ATOM 0 HG2 ARG A 10 10.186 -7.008 -0.923 1.00 10.00 H new ATOM 0 HG3 ARG A 10 11.896 -7.332 -0.726 1.00 10.00 H new ATOM 0 HD2 ARG A 10 12.373 -5.308 -2.203 1.00 10.00 H new ATOM 0 HD3 ARG A 10 10.658 -4.952 -2.180 1.00 10.00 H new ATOM 0 HE ARG A 10 11.181 -5.148 0.491 1.00 10.00 H new ATOM 0 HH11 ARG A 10 12.779 -3.253 -2.033 1.00 10.00 H new ATOM 0 HH12 ARG A 10 13.349 -2.057 -0.864 1.00 10.00 H new ATOM 0 HH21 ARG A 10 11.998 -3.627 1.888 1.00 10.00 H new ATOM 0 HH22 ARG A 10 12.926 -2.260 1.263 1.00 10.00 H new ATOM 166 N ASN A 11 9.159 -8.584 -5.572 1.00 10.00 N ATOM 167 CA ASN A 11 9.068 -9.514 -6.705 1.00 10.00 C ATOM 168 C ASN A 11 7.956 -9.124 -7.712 1.00 10.00 C ATOM 169 O ASN A 11 7.485 -9.969 -8.478 1.00 10.00 O ATOM 170 CB ASN A 11 8.909 -10.939 -6.130 1.00 10.00 C ATOM 171 CG ASN A 11 10.208 -11.473 -5.547 1.00 10.00 C ATOM 172 OD1 ASN A 11 11.078 -11.959 -6.258 1.00 10.00 O ATOM 173 ND2 ASN A 11 10.396 -11.411 -4.248 1.00 10.00 N ATOM 0 H ASN A 11 8.246 -8.388 -5.162 1.00 10.00 H new ATOM 0 HA ASN A 11 9.981 -9.469 -7.299 1.00 10.00 H new ATOM 0 HB2 ASN A 11 8.141 -10.933 -5.356 1.00 10.00 H new ATOM 0 HB3 ASN A 11 8.563 -11.610 -6.917 1.00 10.00 H new ATOM 0 HD21 ASN A 11 11.261 -11.766 -3.840 1.00 10.00 H new ATOM 0 HD22 ASN A 11 9.677 -11.008 -3.647 1.00 10.00 H new ATOM 180 N GLN A 12 7.536 -7.850 -7.735 1.00 10.00 N ATOM 181 CA GLN A 12 6.544 -7.310 -8.682 1.00 10.00 C ATOM 182 C GLN A 12 6.889 -5.871 -9.134 1.00 10.00 C ATOM 183 O GLN A 12 7.455 -5.106 -8.347 1.00 10.00 O ATOM 184 CB GLN A 12 5.137 -7.390 -8.056 1.00 10.00 C ATOM 185 CG GLN A 12 4.937 -6.494 -6.822 1.00 10.00 C ATOM 186 CD GLN A 12 3.582 -6.741 -6.166 1.00 10.00 C ATOM 187 OE1 GLN A 12 2.602 -6.054 -6.418 1.00 10.00 O ATOM 188 NE2 GLN A 12 3.474 -7.732 -5.310 1.00 10.00 N ATOM 0 H GLN A 12 7.884 -7.149 -7.081 1.00 10.00 H new ATOM 0 HA GLN A 12 6.564 -7.921 -9.585 1.00 10.00 H new ATOM 0 HB2 GLN A 12 4.401 -7.116 -8.812 1.00 10.00 H new ATOM 0 HB3 GLN A 12 4.936 -8.424 -7.775 1.00 10.00 H new ATOM 0 HG2 GLN A 12 5.732 -6.684 -6.101 1.00 10.00 H new ATOM 0 HG3 GLN A 12 5.015 -5.447 -7.115 1.00 10.00 H new ATOM 0 HE21 GLN A 12 4.286 -8.310 -5.094 1.00 10.00 H new ATOM 0 HE22 GLN A 12 2.578 -7.923 -4.862 1.00 10.00 H new ATOM 197 N PRO A 13 6.531 -5.461 -10.370 1.00 10.00 N ATOM 198 CA PRO A 13 6.859 -4.137 -10.898 1.00 10.00 C ATOM 199 C PRO A 13 6.029 -2.998 -10.283 1.00 10.00 C ATOM 200 O PRO A 13 6.470 -1.849 -10.280 1.00 10.00 O ATOM 201 CB PRO A 13 6.624 -4.242 -12.406 1.00 10.00 C ATOM 202 CG PRO A 13 5.613 -5.360 -12.590 1.00 10.00 C ATOM 203 CD PRO A 13 5.827 -6.247 -11.376 1.00 10.00 C ATOM 0 HA PRO A 13 7.887 -3.876 -10.646 1.00 10.00 H new ATOM 0 HB2 PRO A 13 6.246 -3.303 -12.809 1.00 10.00 H new ATOM 0 HB3 PRO A 13 7.553 -4.464 -12.932 1.00 10.00 H new ATOM 0 HG2 PRO A 13 4.594 -4.975 -12.629 1.00 10.00 H new ATOM 0 HG3 PRO A 13 5.784 -5.905 -13.518 1.00 10.00 H new ATOM 0 HD2 PRO A 13 4.872 -6.599 -10.987 1.00 10.00 H new ATOM 0 HD3 PRO A 13 6.406 -7.130 -11.645 1.00 10.00 H new ATOM 211 N GLN A 14 4.845 -3.287 -9.731 1.00 10.00 N ATOM 212 CA GLN A 14 3.946 -2.266 -9.171 1.00 10.00 C ATOM 213 C GLN A 14 4.536 -1.538 -7.953 1.00 10.00 C ATOM 214 O GLN A 14 4.266 -0.352 -7.770 1.00 10.00 O ATOM 215 CB GLN A 14 2.579 -2.882 -8.826 1.00 10.00 C ATOM 216 CG GLN A 14 1.866 -3.537 -10.025 1.00 10.00 C ATOM 217 CD GLN A 14 1.750 -2.610 -11.235 1.00 10.00 C ATOM 218 OE1 GLN A 14 2.469 -2.737 -12.218 1.00 10.00 O ATOM 219 NE2 GLN A 14 0.870 -1.631 -11.210 1.00 10.00 N ATOM 0 H GLN A 14 4.481 -4.237 -9.659 1.00 10.00 H new ATOM 0 HA GLN A 14 3.816 -1.510 -9.946 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.716 -3.630 -8.045 1.00 10.00 H new ATOM 0 HB3 GLN A 14 1.935 -2.105 -8.414 1.00 10.00 H new ATOM 0 HG2 GLN A 14 2.409 -4.437 -10.315 1.00 10.00 H new ATOM 0 HG3 GLN A 14 0.868 -3.851 -9.719 1.00 10.00 H new ATOM 0 HE21 GLN A 14 0.263 -1.511 -10.399 1.00 10.00 H new ATOM 0 HE22 GLN A 14 0.795 -0.992 -12.002 1.00 10.00 H new ATOM 228 N PHE A 15 5.426 -2.186 -7.188 1.00 10.00 N ATOM 229 CA PHE A 15 6.181 -1.591 -6.070 1.00 10.00 C ATOM 230 C PHE A 15 7.177 -0.510 -6.538 1.00 10.00 C ATOM 231 O PHE A 15 7.752 0.218 -5.733 1.00 10.00 O ATOM 232 CB PHE A 15 6.886 -2.736 -5.319 1.00 10.00 C ATOM 233 CG PHE A 15 7.681 -2.341 -4.083 1.00 10.00 C ATOM 234 CD1 PHE A 15 7.042 -2.209 -2.835 1.00 10.00 C ATOM 235 CD2 PHE A 15 9.072 -2.133 -4.173 1.00 10.00 C ATOM 236 CE1 PHE A 15 7.784 -1.873 -1.688 1.00 10.00 C ATOM 237 CE2 PHE A 15 9.812 -1.779 -3.029 1.00 10.00 C ATOM 238 CZ PHE A 15 9.169 -1.651 -1.787 1.00 10.00 C ATOM 0 H PHE A 15 5.649 -3.171 -7.333 1.00 10.00 H new ATOM 0 HA PHE A 15 5.493 -1.072 -5.402 1.00 10.00 H new ATOM 0 HB2 PHE A 15 6.133 -3.466 -5.023 1.00 10.00 H new ATOM 0 HB3 PHE A 15 7.560 -3.237 -6.014 1.00 10.00 H new ATOM 0 HD1 PHE A 15 5.976 -2.367 -2.758 1.00 10.00 H new ATOM 0 HD2 PHE A 15 9.572 -2.246 -5.124 1.00 10.00 H new ATOM 0 HE1 PHE A 15 7.290 -1.786 -0.732 1.00 10.00 H new ATOM 0 HE2 PHE A 15 10.875 -1.606 -3.106 1.00 10.00 H new ATOM 0 HZ PHE A 15 9.738 -1.382 -0.909 1.00 10.00 H new ATOM 248 N GLN A 16 7.342 -0.357 -7.851 1.00 10.00 N ATOM 249 CA GLN A 16 8.149 0.661 -8.516 1.00 10.00 C ATOM 250 C GLN A 16 7.289 1.558 -9.433 1.00 10.00 C ATOM 251 O GLN A 16 7.808 2.195 -10.351 1.00 10.00 O ATOM 252 CB GLN A 16 9.311 -0.061 -9.223 1.00 10.00 C ATOM 253 CG GLN A 16 10.465 -0.380 -8.254 1.00 10.00 C ATOM 254 CD GLN A 16 11.106 0.885 -7.680 1.00 10.00 C ATOM 255 OE1 GLN A 16 10.979 1.207 -6.505 1.00 10.00 O ATOM 256 NE2 GLN A 16 11.780 1.669 -8.496 1.00 10.00 N ATOM 0 H GLN A 16 6.887 -0.980 -8.519 1.00 10.00 H new ATOM 0 HA GLN A 16 8.575 1.363 -7.800 1.00 10.00 H new ATOM 0 HB2 GLN A 16 8.946 -0.986 -9.669 1.00 10.00 H new ATOM 0 HB3 GLN A 16 9.683 0.561 -10.038 1.00 10.00 H new ATOM 0 HG2 GLN A 16 10.091 -0.998 -7.438 1.00 10.00 H new ATOM 0 HG3 GLN A 16 11.223 -0.965 -8.775 1.00 10.00 H new ATOM 0 HE21 GLN A 16 11.891 1.410 -9.476 1.00 10.00 H new ATOM 0 HE22 GLN A 16 12.191 2.535 -8.148 1.00 10.00 H new ATOM 265 N GLN A 17 5.981 1.648 -9.155 1.00 10.00 N ATOM 266 CA GLN A 17 5.038 2.614 -9.736 1.00 10.00 C ATOM 267 C GLN A 17 4.117 3.251 -8.684 1.00 10.00 C ATOM 268 O GLN A 17 3.886 4.456 -8.730 1.00 10.00 O ATOM 269 CB GLN A 17 4.165 1.913 -10.792 1.00 10.00 C ATOM 270 CG GLN A 17 4.982 1.266 -11.922 1.00 10.00 C ATOM 271 CD GLN A 17 4.128 0.701 -13.060 1.00 10.00 C ATOM 272 OE1 GLN A 17 2.939 0.962 -13.202 1.00 10.00 O ATOM 273 NE2 GLN A 17 4.705 -0.109 -13.925 1.00 10.00 N ATOM 0 H GLN A 17 5.531 1.021 -8.488 1.00 10.00 H new ATOM 0 HA GLN A 17 5.635 3.408 -10.184 1.00 10.00 H new ATOM 0 HB2 GLN A 17 3.562 1.147 -10.305 1.00 10.00 H new ATOM 0 HB3 GLN A 17 3.474 2.638 -11.222 1.00 10.00 H new ATOM 0 HG2 GLN A 17 5.669 2.007 -12.330 1.00 10.00 H new ATOM 0 HG3 GLN A 17 5.590 0.463 -11.504 1.00 10.00 H new ATOM 0 HE21 GLN A 17 5.694 -0.340 -13.826 1.00 10.00 H new ATOM 0 HE22 GLN A 17 4.163 -0.505 -14.693 1.00 10.00 H new ATOM 282 N MET A 18 3.593 2.474 -7.726 1.00 10.00 N ATOM 283 CA MET A 18 2.634 2.942 -6.718 1.00 10.00 C ATOM 284 C MET A 18 3.243 3.874 -5.665 1.00 10.00 C ATOM 285 O MET A 18 2.595 4.818 -5.219 1.00 10.00 O ATOM 286 CB MET A 18 1.961 1.720 -6.085 1.00 10.00 C ATOM 287 CG MET A 18 2.870 0.868 -5.178 1.00 10.00 C ATOM 288 SD MET A 18 2.146 -0.720 -4.681 1.00 10.00 S ATOM 289 CE MET A 18 3.151 -1.071 -3.214 1.00 10.00 C ATOM 0 H MET A 18 3.828 1.486 -7.629 1.00 10.00 H new ATOM 0 HA MET A 18 1.890 3.560 -7.221 1.00 10.00 H new ATOM 0 HB2 MET A 18 1.105 2.058 -5.500 1.00 10.00 H new ATOM 0 HB3 MET A 18 1.572 1.086 -6.882 1.00 10.00 H new ATOM 0 HG2 MET A 18 3.809 0.680 -5.698 1.00 10.00 H new ATOM 0 HG3 MET A 18 3.111 1.441 -4.283 1.00 10.00 H new ATOM 0 HE1 MET A 18 2.952 -2.086 -2.871 1.00 10.00 H new ATOM 0 HE2 MET A 18 4.207 -0.973 -3.465 1.00 10.00 H new ATOM 0 HE3 MET A 18 2.899 -0.365 -2.423 1.00 10.00 H new ATOM 299 N ARG A 19 4.506 3.661 -5.291 1.00 10.00 N ATOM 300 CA ARG A 19 5.200 4.450 -4.263 1.00 10.00 C ATOM 301 C ARG A 19 5.489 5.874 -4.724 1.00 10.00 C ATOM 302 O ARG A 19 5.359 6.797 -3.929 1.00 10.00 O ATOM 303 CB ARG A 19 6.485 3.725 -3.844 1.00 10.00 C ATOM 304 CG ARG A 19 6.193 2.249 -3.525 1.00 10.00 C ATOM 305 CD ARG A 19 7.330 1.584 -2.750 1.00 10.00 C ATOM 306 NE ARG A 19 8.610 1.642 -3.473 1.00 10.00 N ATOM 307 CZ ARG A 19 9.633 2.431 -3.209 1.00 10.00 C ATOM 308 NH1 ARG A 19 9.605 3.295 -2.236 1.00 10.00 N ATOM 309 NH2 ARG A 19 10.705 2.385 -3.942 1.00 10.00 N ATOM 0 H ARG A 19 5.086 2.927 -5.697 1.00 10.00 H new ATOM 0 HA ARG A 19 4.541 4.539 -3.399 1.00 10.00 H new ATOM 0 HB2 ARG A 19 7.223 3.791 -4.643 1.00 10.00 H new ATOM 0 HB3 ARG A 19 6.916 4.213 -2.970 1.00 10.00 H new ATOM 0 HG2 ARG A 19 5.273 2.181 -2.945 1.00 10.00 H new ATOM 0 HG3 ARG A 19 6.024 1.706 -4.455 1.00 10.00 H new ATOM 0 HD2 ARG A 19 7.440 2.072 -1.782 1.00 10.00 H new ATOM 0 HD3 ARG A 19 7.073 0.543 -2.555 1.00 10.00 H new ATOM 0 HE ARG A 19 8.717 1.004 -4.262 1.00 10.00 H new ATOM 0 HH11 ARG A 19 8.774 3.377 -1.650 1.00 10.00 H new ATOM 0 HH12 ARG A 19 10.414 3.890 -2.059 1.00 10.00 H new ATOM 0 HH21 ARG A 19 10.759 1.736 -4.727 1.00 10.00 H new ATOM 0 HH22 ARG A 19 11.493 2.998 -3.732 1.00 10.00 H new ATOM 323 N GLN A 20 5.757 6.077 -6.015 1.00 10.00 N ATOM 324 CA GLN A 20 5.847 7.395 -6.647 1.00 10.00 C ATOM 325 C GLN A 20 4.581 8.236 -6.454 1.00 10.00 C ATOM 326 O GLN A 20 4.655 9.461 -6.377 1.00 10.00 O ATOM 327 CB GLN A 20 6.086 7.225 -8.153 1.00 10.00 C ATOM 328 CG GLN A 20 7.511 6.769 -8.490 1.00 10.00 C ATOM 329 CD GLN A 20 7.692 5.258 -8.622 1.00 10.00 C ATOM 330 OE1 GLN A 20 7.130 4.448 -7.894 1.00 10.00 O ATOM 331 NE2 GLN A 20 8.474 4.824 -9.584 1.00 10.00 N ATOM 0 H GLN A 20 5.922 5.310 -6.667 1.00 10.00 H new ATOM 0 HA GLN A 20 6.675 7.917 -6.167 1.00 10.00 H new ATOM 0 HB2 GLN A 20 5.376 6.498 -8.547 1.00 10.00 H new ATOM 0 HB3 GLN A 20 5.886 8.171 -8.655 1.00 10.00 H new ATOM 0 HG2 GLN A 20 7.815 7.239 -9.425 1.00 10.00 H new ATOM 0 HG3 GLN A 20 8.186 7.134 -7.716 1.00 10.00 H new ATOM 0 HE21 GLN A 20 8.947 5.489 -10.196 1.00 10.00 H new ATOM 0 HE22 GLN A 20 8.608 3.822 -9.719 1.00 10.00 H new ATOM 340 N ILE A 21 3.421 7.584 -6.370 1.00 10.00 N ATOM 341 CA ILE A 21 2.128 8.234 -6.163 1.00 10.00 C ATOM 342 C ILE A 21 2.037 8.742 -4.713 1.00 10.00 C ATOM 343 O ILE A 21 1.662 9.887 -4.458 1.00 10.00 O ATOM 344 CB ILE A 21 0.969 7.259 -6.501 1.00 10.00 C ATOM 345 CG1 ILE A 21 1.282 6.442 -7.778 1.00 10.00 C ATOM 346 CG2 ILE A 21 -0.334 8.059 -6.641 1.00 10.00 C ATOM 347 CD1 ILE A 21 0.185 5.490 -8.264 1.00 10.00 C ATOM 0 H ILE A 21 3.353 6.569 -6.446 1.00 10.00 H new ATOM 0 HA ILE A 21 2.038 9.089 -6.833 1.00 10.00 H new ATOM 0 HB ILE A 21 0.853 6.538 -5.691 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.509 7.141 -8.583 1.00 10.00 H new ATOM 0 HG13 ILE A 21 2.185 5.859 -7.598 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.154 7.381 -6.879 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.548 8.573 -5.704 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.227 8.792 -7.440 1.00 10.00 H new ATOM 0 HD11 ILE A 21 0.522 4.976 -9.164 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -0.031 4.757 -7.487 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -0.718 6.059 -8.488 1.00 10.00 H new ATOM 359 N ILE A 22 2.461 7.905 -3.760 1.00 10.00 N ATOM 360 CA ILE A 22 2.393 8.168 -2.309 1.00 10.00 C ATOM 361 C ILE A 22 3.457 9.181 -1.858 1.00 10.00 C ATOM 362 O ILE A 22 3.197 10.017 -0.996 1.00 10.00 O ATOM 363 CB ILE A 22 2.502 6.840 -1.520 1.00 10.00 C ATOM 364 CG1 ILE A 22 1.501 5.757 -1.990 1.00 10.00 C ATOM 365 CG2 ILE A 22 2.297 7.054 -0.010 1.00 10.00 C ATOM 366 CD1 ILE A 22 0.075 6.251 -2.267 1.00 10.00 C ATOM 0 H ILE A 22 2.874 6.998 -3.978 1.00 10.00 H new ATOM 0 HA ILE A 22 1.424 8.619 -2.094 1.00 10.00 H new ATOM 0 HB ILE A 22 3.514 6.487 -1.720 1.00 10.00 H new ATOM 0 HG12 ILE A 22 1.890 5.297 -2.898 1.00 10.00 H new ATOM 0 HG13 ILE A 22 1.455 4.976 -1.231 1.00 10.00 H new ATOM 0 HG21 ILE A 22 2.381 6.098 0.508 1.00 10.00 H new ATOM 0 HG22 ILE A 22 3.057 7.739 0.367 1.00 10.00 H new ATOM 0 HG23 ILE A 22 1.308 7.476 0.167 1.00 10.00 H new ATOM 0 HD11 ILE A 22 -0.544 5.414 -2.590 1.00 10.00 H new ATOM 0 HD12 ILE A 22 -0.344 6.682 -1.358 1.00 10.00 H new ATOM 0 HD13 ILE A 22 0.098 7.008 -3.050 1.00 10.00 H new ATOM 378 N GLN A 23 4.629 9.174 -2.499 1.00 10.00 N ATOM 379 CA GLN A 23 5.714 10.152 -2.322 1.00 10.00 C ATOM 380 C GLN A 23 5.346 11.597 -2.752 1.00 10.00 C ATOM 381 O GLN A 23 6.140 12.518 -2.549 1.00 10.00 O ATOM 382 CB GLN A 23 6.952 9.636 -3.084 1.00 10.00 C ATOM 383 CG GLN A 23 7.659 8.436 -2.415 1.00 10.00 C ATOM 384 CD GLN A 23 8.515 8.783 -1.192 1.00 10.00 C ATOM 385 OE1 GLN A 23 8.372 9.813 -0.544 1.00 10.00 O ATOM 386 NE2 GLN A 23 9.450 7.934 -0.815 1.00 10.00 N ATOM 0 H GLN A 23 4.861 8.457 -3.186 1.00 10.00 H new ATOM 0 HA GLN A 23 5.920 10.233 -1.255 1.00 10.00 H new ATOM 0 HB2 GLN A 23 6.650 9.349 -4.091 1.00 10.00 H new ATOM 0 HB3 GLN A 23 7.667 10.452 -3.186 1.00 10.00 H new ATOM 0 HG2 GLN A 23 6.903 7.710 -2.115 1.00 10.00 H new ATOM 0 HG3 GLN A 23 8.293 7.949 -3.156 1.00 10.00 H new ATOM 0 HE21 GLN A 23 9.592 7.068 -1.335 1.00 10.00 H new ATOM 0 HE22 GLN A 23 10.031 8.143 -0.003 1.00 10.00 H new ATOM 395 N GLN A 24 4.147 11.814 -3.311 1.00 10.00 N ATOM 396 CA GLN A 24 3.600 13.130 -3.705 1.00 10.00 C ATOM 397 C GLN A 24 2.231 13.388 -3.059 1.00 10.00 C ATOM 398 O GLN A 24 1.929 14.509 -2.647 1.00 10.00 O ATOM 399 CB GLN A 24 3.445 13.206 -5.234 1.00 10.00 C ATOM 400 CG GLN A 24 4.737 12.873 -5.979 1.00 10.00 C ATOM 401 CD GLN A 24 4.548 12.899 -7.493 1.00 10.00 C ATOM 402 OE1 GLN A 24 4.470 13.944 -8.128 1.00 10.00 O ATOM 403 NE2 GLN A 24 4.462 11.750 -8.130 1.00 10.00 N ATOM 0 H GLN A 24 3.502 11.050 -3.511 1.00 10.00 H new ATOM 0 HA GLN A 24 4.302 13.889 -3.359 1.00 10.00 H new ATOM 0 HB2 GLN A 24 2.661 12.517 -5.550 1.00 10.00 H new ATOM 0 HB3 GLN A 24 3.119 14.208 -5.512 1.00 10.00 H new ATOM 0 HG2 GLN A 24 5.511 13.587 -5.698 1.00 10.00 H new ATOM 0 HG3 GLN A 24 5.087 11.887 -5.674 1.00 10.00 H new ATOM 0 HE21 GLN A 24 4.526 10.874 -7.612 1.00 10.00 H new ATOM 0 HE22 GLN A 24 4.332 11.736 -9.142 1.00 10.00 H new ATOM 412 N ASN A 25 1.432 12.328 -2.923 1.00 10.00 N ATOM 413 CA ASN A 25 0.123 12.316 -2.262 1.00 10.00 C ATOM 414 C ASN A 25 0.024 11.184 -1.217 1.00 10.00 C ATOM 415 O ASN A 25 -0.568 10.135 -1.489 1.00 10.00 O ATOM 416 CB ASN A 25 -0.999 12.272 -3.319 1.00 10.00 C ATOM 417 CG ASN A 25 -1.417 13.664 -3.749 1.00 10.00 C ATOM 418 OD1 ASN A 25 -1.121 14.131 -4.840 1.00 10.00 O ATOM 419 ND2 ASN A 25 -2.121 14.371 -2.889 1.00 10.00 N ATOM 0 H ASN A 25 1.691 11.411 -3.287 1.00 10.00 H new ATOM 0 HA ASN A 25 -0.001 13.241 -1.698 1.00 10.00 H new ATOM 0 HB2 ASN A 25 -0.659 11.709 -4.188 1.00 10.00 H new ATOM 0 HB3 ASN A 25 -1.861 11.742 -2.913 1.00 10.00 H new ATOM 0 HD21 ASN A 25 -2.423 15.315 -3.131 1.00 10.00 H new ATOM 0 HD22 ASN A 25 -2.364 13.975 -1.981 1.00 10.00 H new ATOM 426 N PRO A 26 0.560 11.381 0.006 1.00 10.00 N ATOM 427 CA PRO A 26 0.435 10.407 1.095 1.00 10.00 C ATOM 428 C PRO A 26 -1.021 10.201 1.551 1.00 10.00 C ATOM 429 O PRO A 26 -1.364 9.139 2.072 1.00 10.00 O ATOM 430 CB PRO A 26 1.333 10.934 2.216 1.00 10.00 C ATOM 431 CG PRO A 26 1.353 12.440 1.980 1.00 10.00 C ATOM 432 CD PRO A 26 1.304 12.550 0.461 1.00 10.00 C ATOM 0 HA PRO A 26 0.745 9.414 0.770 1.00 10.00 H new ATOM 0 HB2 PRO A 26 0.933 10.687 3.200 1.00 10.00 H new ATOM 0 HB3 PRO A 26 2.334 10.506 2.163 1.00 10.00 H new ATOM 0 HG2 PRO A 26 0.501 12.933 2.448 1.00 10.00 H new ATOM 0 HG3 PRO A 26 2.252 12.901 2.389 1.00 10.00 H new ATOM 0 HD2 PRO A 26 0.813 13.472 0.151 1.00 10.00 H new ATOM 0 HD3 PRO A 26 2.308 12.565 0.037 1.00 10.00 H new ATOM 440 N SER A 27 -1.903 11.168 1.272 1.00 10.00 N ATOM 441 CA SER A 27 -3.365 11.059 1.393 1.00 10.00 C ATOM 442 C SER A 27 -3.994 9.917 0.575 1.00 10.00 C ATOM 443 O SER A 27 -5.117 9.505 0.871 1.00 10.00 O ATOM 444 CB SER A 27 -4.005 12.394 0.995 1.00 10.00 C ATOM 445 OG SER A 27 -3.553 12.826 -0.285 1.00 10.00 O ATOM 0 H SER A 27 -1.607 12.087 0.942 1.00 10.00 H new ATOM 0 HA SER A 27 -3.565 10.816 2.437 1.00 10.00 H new ATOM 0 HB2 SER A 27 -5.090 12.290 0.983 1.00 10.00 H new ATOM 0 HB3 SER A 27 -3.765 13.151 1.742 1.00 10.00 H new ATOM 0 HG SER A 27 -3.979 13.679 -0.512 1.00 10.00 H new ATOM 451 N LEU A 28 -3.275 9.364 -0.414 1.00 10.00 N ATOM 452 CA LEU A 28 -3.714 8.235 -1.244 1.00 10.00 C ATOM 453 C LEU A 28 -3.072 6.892 -0.850 1.00 10.00 C ATOM 454 O LEU A 28 -3.326 5.888 -1.512 1.00 10.00 O ATOM 455 CB LEU A 28 -3.480 8.560 -2.732 1.00 10.00 C ATOM 456 CG LEU A 28 -4.250 9.782 -3.267 1.00 10.00 C ATOM 457 CD1 LEU A 28 -4.005 9.887 -4.772 1.00 10.00 C ATOM 458 CD2 LEU A 28 -5.763 9.699 -3.049 1.00 10.00 C ATOM 0 H LEU A 28 -2.345 9.701 -0.664 1.00 10.00 H new ATOM 0 HA LEU A 28 -4.781 8.103 -1.066 1.00 10.00 H new ATOM 0 HB2 LEU A 28 -2.414 8.726 -2.887 1.00 10.00 H new ATOM 0 HB3 LEU A 28 -3.757 7.688 -3.325 1.00 10.00 H new ATOM 0 HG LEU A 28 -3.885 10.649 -2.716 1.00 10.00 H new ATOM 0 HD11 LEU A 28 -4.543 10.748 -5.169 1.00 10.00 H new ATOM 0 HD12 LEU A 28 -2.938 10.008 -4.959 1.00 10.00 H new ATOM 0 HD13 LEU A 28 -4.359 8.980 -5.262 1.00 10.00 H new ATOM 0 HD21 LEU A 28 -6.238 10.594 -3.451 1.00 10.00 H new ATOM 0 HD22 LEU A 28 -6.156 8.819 -3.558 1.00 10.00 H new ATOM 0 HD23 LEU A 28 -5.973 9.625 -1.982 1.00 10.00 H new ATOM 470 N LEU A 29 -2.292 6.820 0.236 1.00 10.00 N ATOM 471 CA LEU A 29 -1.874 5.540 0.828 1.00 10.00 C ATOM 472 C LEU A 29 -3.078 4.633 1.180 1.00 10.00 C ATOM 473 O LEU A 29 -3.092 3.485 0.727 1.00 10.00 O ATOM 474 CB LEU A 29 -0.936 5.813 2.017 1.00 10.00 C ATOM 475 CG LEU A 29 -0.373 4.558 2.710 1.00 10.00 C ATOM 476 CD1 LEU A 29 0.389 3.644 1.751 1.00 10.00 C ATOM 477 CD2 LEU A 29 0.578 4.977 3.831 1.00 10.00 C ATOM 0 H LEU A 29 -1.935 7.640 0.727 1.00 10.00 H new ATOM 0 HA LEU A 29 -1.314 4.968 0.088 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.101 6.421 1.668 1.00 10.00 H new ATOM 0 HB3 LEU A 29 -1.475 6.405 2.756 1.00 10.00 H new ATOM 0 HG LEU A 29 -1.227 4.003 3.099 1.00 10.00 H new ATOM 0 HD11 LEU A 29 0.763 2.776 2.295 1.00 10.00 H new ATOM 0 HD12 LEU A 29 -0.279 3.314 0.955 1.00 10.00 H new ATOM 0 HD13 LEU A 29 1.227 4.189 1.318 1.00 10.00 H new ATOM 0 HD21 LEU A 29 0.976 4.089 4.321 1.00 10.00 H new ATOM 0 HD22 LEU A 29 1.399 5.560 3.413 1.00 10.00 H new ATOM 0 HD23 LEU A 29 0.038 5.582 4.559 1.00 10.00 H new ATOM 489 N PRO A 30 -4.132 5.127 1.870 1.00 10.00 N ATOM 490 CA PRO A 30 -5.406 4.413 2.015 1.00 10.00 C ATOM 491 C PRO A 30 -5.968 3.900 0.692 1.00 10.00 C ATOM 492 O PRO A 30 -6.321 2.732 0.550 1.00 10.00 O ATOM 493 CB PRO A 30 -6.383 5.421 2.629 1.00 10.00 C ATOM 494 CG PRO A 30 -5.529 6.507 3.262 1.00 10.00 C ATOM 495 CD PRO A 30 -4.144 6.367 2.636 1.00 10.00 C ATOM 0 HA PRO A 30 -5.255 3.528 2.633 1.00 10.00 H new ATOM 0 HB2 PRO A 30 -7.042 5.838 1.867 1.00 10.00 H new ATOM 0 HB3 PRO A 30 -7.019 4.943 3.374 1.00 10.00 H new ATOM 0 HG2 PRO A 30 -5.947 7.495 3.069 1.00 10.00 H new ATOM 0 HG3 PRO A 30 -5.483 6.386 4.344 1.00 10.00 H new ATOM 0 HD2 PRO A 30 -3.927 7.218 1.991 1.00 10.00 H new ATOM 0 HD3 PRO A 30 -3.375 6.348 3.408 1.00 10.00 H new ATOM 503 N ALA A 31 -6.005 4.788 -0.298 1.00 10.00 N ATOM 504 CA ALA A 31 -6.506 4.530 -1.640 1.00 10.00 C ATOM 505 C ALA A 31 -5.642 3.535 -2.452 1.00 10.00 C ATOM 506 O ALA A 31 -6.106 3.031 -3.477 1.00 10.00 O ATOM 507 CB ALA A 31 -6.659 5.893 -2.322 1.00 10.00 C ATOM 0 H ALA A 31 -5.673 5.745 -0.180 1.00 10.00 H new ATOM 0 HA ALA A 31 -7.468 4.021 -1.583 1.00 10.00 H new ATOM 0 HB1 ALA A 31 -7.034 5.753 -3.336 1.00 10.00 H new ATOM 0 HB2 ALA A 31 -7.362 6.506 -1.757 1.00 10.00 H new ATOM 0 HB3 ALA A 31 -5.691 6.392 -2.359 1.00 10.00 H new ATOM 513 N LEU A 32 -4.427 3.194 -1.990 1.00 10.00 N ATOM 514 CA LEU A 32 -3.553 2.193 -2.608 1.00 10.00 C ATOM 515 C LEU A 32 -3.692 0.847 -1.897 1.00 10.00 C ATOM 516 O LEU A 32 -3.796 -0.185 -2.553 1.00 10.00 O ATOM 517 CB LEU A 32 -2.111 2.715 -2.550 1.00 10.00 C ATOM 518 CG LEU A 32 -1.026 1.732 -3.017 1.00 10.00 C ATOM 519 CD1 LEU A 32 -1.265 1.232 -4.441 1.00 10.00 C ATOM 520 CD2 LEU A 32 0.335 2.426 -2.930 1.00 10.00 C ATOM 0 H LEU A 32 -4.020 3.619 -1.157 1.00 10.00 H new ATOM 0 HA LEU A 32 -3.837 2.033 -3.648 1.00 10.00 H new ATOM 0 HB2 LEU A 32 -2.046 3.616 -3.160 1.00 10.00 H new ATOM 0 HB3 LEU A 32 -1.892 3.009 -1.523 1.00 10.00 H new ATOM 0 HG LEU A 32 -1.057 0.859 -2.366 1.00 10.00 H new ATOM 0 HD11 LEU A 32 -0.470 0.541 -4.722 1.00 10.00 H new ATOM 0 HD12 LEU A 32 -2.226 0.720 -4.490 1.00 10.00 H new ATOM 0 HD13 LEU A 32 -1.269 2.078 -5.128 1.00 10.00 H new ATOM 0 HD21 LEU A 32 1.115 1.739 -3.259 1.00 10.00 H new ATOM 0 HD22 LEU A 32 0.335 3.308 -3.570 1.00 10.00 H new ATOM 0 HD23 LEU A 32 0.526 2.725 -1.899 1.00 10.00 H new ATOM 532 N LEU A 33 -3.803 0.849 -0.569 1.00 10.00 N ATOM 533 CA LEU A 33 -4.204 -0.328 0.207 1.00 10.00 C ATOM 534 C LEU A 33 -5.562 -0.860 -0.287 1.00 10.00 C ATOM 535 O LEU A 33 -5.710 -2.049 -0.568 1.00 10.00 O ATOM 536 CB LEU A 33 -4.237 0.069 1.691 1.00 10.00 C ATOM 537 CG LEU A 33 -2.843 0.405 2.259 1.00 10.00 C ATOM 538 CD1 LEU A 33 -2.969 1.404 3.405 1.00 10.00 C ATOM 539 CD2 LEU A 33 -2.141 -0.854 2.763 1.00 10.00 C ATOM 0 H LEU A 33 -3.616 1.672 0.004 1.00 10.00 H new ATOM 0 HA LEU A 33 -3.489 -1.140 0.076 1.00 10.00 H new ATOM 0 HB2 LEU A 33 -4.891 0.932 1.816 1.00 10.00 H new ATOM 0 HB3 LEU A 33 -4.671 -0.746 2.269 1.00 10.00 H new ATOM 0 HG LEU A 33 -2.250 0.842 1.456 1.00 10.00 H new ATOM 0 HD11 LEU A 33 -1.979 1.634 3.798 1.00 10.00 H new ATOM 0 HD12 LEU A 33 -3.436 2.319 3.040 1.00 10.00 H new ATOM 0 HD13 LEU A 33 -3.583 0.974 4.197 1.00 10.00 H new ATOM 0 HD21 LEU A 33 -1.160 -0.590 3.158 1.00 10.00 H new ATOM 0 HD22 LEU A 33 -2.738 -1.313 3.551 1.00 10.00 H new ATOM 0 HD23 LEU A 33 -2.023 -1.559 1.940 1.00 10.00 H new ATOM 551 N GLN A 34 -6.524 0.037 -0.521 1.00 10.00 N ATOM 552 CA GLN A 34 -7.806 -0.285 -1.157 1.00 10.00 C ATOM 553 C GLN A 34 -7.655 -0.865 -2.577 1.00 10.00 C ATOM 554 O GLN A 34 -8.462 -1.710 -2.964 1.00 10.00 O ATOM 555 CB GLN A 34 -8.687 0.975 -1.188 1.00 10.00 C ATOM 556 CG GLN A 34 -9.230 1.346 0.204 1.00 10.00 C ATOM 557 CD GLN A 34 -9.827 2.753 0.256 1.00 10.00 C ATOM 558 OE1 GLN A 34 -10.372 3.280 -0.708 1.00 10.00 O ATOM 559 NE2 GLN A 34 -9.750 3.428 1.385 1.00 10.00 N ATOM 0 H GLN A 34 -6.433 1.022 -0.271 1.00 10.00 H new ATOM 0 HA GLN A 34 -8.276 -1.066 -0.559 1.00 10.00 H new ATOM 0 HB2 GLN A 34 -8.109 1.810 -1.584 1.00 10.00 H new ATOM 0 HB3 GLN A 34 -9.522 0.814 -1.870 1.00 10.00 H new ATOM 0 HG2 GLN A 34 -9.992 0.623 0.496 1.00 10.00 H new ATOM 0 HG3 GLN A 34 -8.424 1.272 0.934 1.00 10.00 H new ATOM 0 HE21 GLN A 34 -9.301 3.010 2.200 1.00 10.00 H new ATOM 0 HE22 GLN A 34 -10.139 4.369 1.444 1.00 10.00 H new ATOM 568 N GLN A 35 -6.631 -0.470 -3.349 1.00 10.00 N ATOM 569 CA GLN A 35 -6.403 -0.969 -4.706 1.00 10.00 C ATOM 570 C GLN A 35 -5.763 -2.366 -4.689 1.00 10.00 C ATOM 571 O GLN A 35 -6.193 -3.254 -5.429 1.00 10.00 O ATOM 572 CB GLN A 35 -5.516 0.053 -5.433 1.00 10.00 C ATOM 573 CG GLN A 35 -5.319 -0.232 -6.922 1.00 10.00 C ATOM 574 CD GLN A 35 -6.523 0.181 -7.763 1.00 10.00 C ATOM 575 OE1 GLN A 35 -7.506 -0.537 -7.895 1.00 10.00 O ATOM 576 NE2 GLN A 35 -6.507 1.357 -8.356 1.00 10.00 N ATOM 0 H GLN A 35 -5.935 0.210 -3.043 1.00 10.00 H new ATOM 0 HA GLN A 35 -7.351 -1.079 -5.232 1.00 10.00 H new ATOM 0 HB2 GLN A 35 -5.956 1.044 -5.320 1.00 10.00 H new ATOM 0 HB3 GLN A 35 -4.540 0.080 -4.948 1.00 10.00 H new ATOM 0 HG2 GLN A 35 -4.435 0.298 -7.276 1.00 10.00 H new ATOM 0 HG3 GLN A 35 -5.130 -1.296 -7.063 1.00 10.00 H new ATOM 0 HE21 GLN A 35 -5.696 1.967 -8.256 1.00 10.00 H new ATOM 0 HE22 GLN A 35 -7.306 1.657 -8.915 1.00 10.00 H new ATOM 585 N ILE A 36 -4.805 -2.596 -3.784 1.00 10.00 N ATOM 586 CA ILE A 36 -4.273 -3.932 -3.473 1.00 10.00 C ATOM 587 C ILE A 36 -5.433 -4.853 -3.061 1.00 10.00 C ATOM 588 O ILE A 36 -5.510 -5.976 -3.540 1.00 10.00 O ATOM 589 CB ILE A 36 -3.162 -3.851 -2.402 1.00 10.00 C ATOM 590 CG1 ILE A 36 -1.980 -2.987 -2.907 1.00 10.00 C ATOM 591 CG2 ILE A 36 -2.624 -5.253 -2.025 1.00 10.00 C ATOM 592 CD1 ILE A 36 -1.036 -2.556 -1.781 1.00 10.00 C ATOM 0 H ILE A 36 -4.370 -1.851 -3.239 1.00 10.00 H new ATOM 0 HA ILE A 36 -3.804 -4.359 -4.359 1.00 10.00 H new ATOM 0 HB ILE A 36 -3.608 -3.395 -1.518 1.00 10.00 H new ATOM 0 HG12 ILE A 36 -1.417 -3.550 -3.652 1.00 10.00 H new ATOM 0 HG13 ILE A 36 -2.371 -2.101 -3.406 1.00 10.00 H new ATOM 0 HG21 ILE A 36 -1.845 -5.153 -1.270 1.00 10.00 H new ATOM 0 HG22 ILE A 36 -3.438 -5.860 -1.629 1.00 10.00 H new ATOM 0 HG23 ILE A 36 -2.210 -5.734 -2.911 1.00 10.00 H new ATOM 0 HD11 ILE A 36 -0.227 -1.953 -2.195 1.00 10.00 H new ATOM 0 HD12 ILE A 36 -1.588 -1.968 -1.048 1.00 10.00 H new ATOM 0 HD13 ILE A 36 -0.619 -3.439 -1.297 1.00 10.00 H new ATOM 604 N GLY A 37 -6.408 -4.371 -2.282 1.00 10.00 N ATOM 605 CA GLY A 37 -7.621 -5.119 -1.935 1.00 10.00 C ATOM 606 C GLY A 37 -8.531 -5.518 -3.111 1.00 10.00 C ATOM 607 O GLY A 37 -9.319 -6.455 -2.956 1.00 10.00 O ATOM 0 H GLY A 37 -6.376 -3.439 -1.870 1.00 10.00 H new ATOM 0 HA2 GLY A 37 -7.326 -6.026 -1.407 1.00 10.00 H new ATOM 0 HA3 GLY A 37 -8.206 -4.520 -1.237 1.00 10.00 H new ATOM 611 N ARG A 38 -8.430 -4.870 -4.284 1.00 10.00 N ATOM 612 CA ARG A 38 -9.177 -5.263 -5.499 1.00 10.00 C ATOM 613 C ARG A 38 -8.465 -6.348 -6.311 1.00 10.00 C ATOM 614 O ARG A 38 -9.112 -7.285 -6.778 1.00 10.00 O ATOM 615 CB ARG A 38 -9.460 -4.049 -6.405 1.00 10.00 C ATOM 616 CG ARG A 38 -10.265 -2.939 -5.705 1.00 10.00 C ATOM 617 CD ARG A 38 -11.088 -2.099 -6.689 1.00 10.00 C ATOM 618 NE ARG A 38 -10.245 -1.444 -7.707 1.00 10.00 N ATOM 619 CZ ARG A 38 -10.621 -0.996 -8.890 1.00 10.00 C ATOM 620 NH1 ARG A 38 -11.857 -1.037 -9.303 1.00 10.00 N ATOM 621 NH2 ARG A 38 -9.724 -0.491 -9.684 1.00 10.00 N ATOM 0 H ARG A 38 -7.828 -4.058 -4.420 1.00 10.00 H new ATOM 0 HA ARG A 38 -10.120 -5.677 -5.143 1.00 10.00 H new ATOM 0 HB2 ARG A 38 -8.513 -3.636 -6.754 1.00 10.00 H new ATOM 0 HB3 ARG A 38 -10.006 -4.383 -7.287 1.00 10.00 H new ATOM 0 HG2 ARG A 38 -10.932 -3.388 -4.969 1.00 10.00 H new ATOM 0 HG3 ARG A 38 -9.582 -2.288 -5.160 1.00 10.00 H new ATOM 0 HD2 ARG A 38 -11.821 -2.737 -7.183 1.00 10.00 H new ATOM 0 HD3 ARG A 38 -11.645 -1.341 -6.139 1.00 10.00 H new ATOM 0 HE ARG A 38 -9.260 -1.324 -7.470 1.00 10.00 H new ATOM 0 HH11 ARG A 38 -12.583 -1.428 -8.702 1.00 10.00 H new ATOM 0 HH12 ARG A 38 -12.098 -0.678 -10.227 1.00 10.00 H new ATOM 0 HH21 ARG A 38 -8.749 -0.446 -9.389 1.00 10.00 H new ATOM 0 HH22 ARG A 38 -9.996 -0.140 -10.602 1.00 10.00 H new ATOM 635 N GLU A 39 -7.147 -6.240 -6.479 1.00 10.00 N ATOM 636 CA GLU A 39 -6.349 -7.094 -7.364 1.00 10.00 C ATOM 637 C GLU A 39 -5.626 -8.244 -6.632 1.00 10.00 C ATOM 638 O GLU A 39 -5.348 -9.290 -7.225 1.00 10.00 O ATOM 639 CB GLU A 39 -5.319 -6.184 -8.046 1.00 10.00 C ATOM 640 CG GLU A 39 -5.958 -5.207 -9.042 1.00 10.00 C ATOM 641 CD GLU A 39 -4.882 -4.466 -9.859 1.00 10.00 C ATOM 642 OE1 GLU A 39 -4.389 -3.403 -9.411 1.00 10.00 O ATOM 643 OE2 GLU A 39 -4.525 -4.939 -10.968 1.00 10.00 O ATOM 0 H GLU A 39 -6.589 -5.539 -5.992 1.00 10.00 H new ATOM 0 HA GLU A 39 -7.018 -7.577 -8.076 1.00 10.00 H new ATOM 0 HB2 GLU A 39 -4.779 -5.620 -7.286 1.00 10.00 H new ATOM 0 HB3 GLU A 39 -4.585 -6.799 -8.567 1.00 10.00 H new ATOM 0 HG2 GLU A 39 -6.620 -5.751 -9.716 1.00 10.00 H new ATOM 0 HG3 GLU A 39 -6.573 -4.485 -8.505 1.00 10.00 H new ATOM 650 N ASN A 40 -5.350 -8.063 -5.340 1.00 10.00 N ATOM 651 CA ASN A 40 -4.578 -8.943 -4.461 1.00 10.00 C ATOM 652 C ASN A 40 -5.126 -8.900 -3.008 1.00 10.00 C ATOM 653 O ASN A 40 -4.394 -8.525 -2.085 1.00 10.00 O ATOM 654 CB ASN A 40 -3.099 -8.507 -4.477 1.00 10.00 C ATOM 655 CG ASN A 40 -2.333 -8.749 -5.759 1.00 10.00 C ATOM 656 OD1 ASN A 40 -2.403 -8.002 -6.725 1.00 10.00 O ATOM 657 ND2 ASN A 40 -1.497 -9.763 -5.763 1.00 10.00 N ATOM 0 H ASN A 40 -5.685 -7.237 -4.844 1.00 10.00 H new ATOM 0 HA ASN A 40 -4.667 -9.966 -4.825 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -3.056 -7.442 -4.251 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -2.583 -9.025 -3.669 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -0.902 -9.930 -6.575 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -1.443 -10.383 -4.955 1.00 10.00 H new ATOM 664 N PRO A 41 -6.394 -9.278 -2.745 1.00 10.00 N ATOM 665 CA PRO A 41 -6.975 -9.233 -1.396 1.00 10.00 C ATOM 666 C PRO A 41 -6.201 -10.054 -0.350 1.00 10.00 C ATOM 667 O PRO A 41 -6.281 -9.767 0.844 1.00 10.00 O ATOM 668 CB PRO A 41 -8.426 -9.700 -1.559 1.00 10.00 C ATOM 669 CG PRO A 41 -8.392 -10.544 -2.828 1.00 10.00 C ATOM 670 CD PRO A 41 -7.364 -9.816 -3.687 1.00 10.00 C ATOM 0 HA PRO A 41 -6.919 -8.221 -0.995 1.00 10.00 H new ATOM 0 HB2 PRO A 41 -8.759 -10.282 -0.699 1.00 10.00 H new ATOM 0 HB3 PRO A 41 -9.110 -8.857 -1.657 1.00 10.00 H new ATOM 0 HG2 PRO A 41 -8.093 -11.572 -2.623 1.00 10.00 H new ATOM 0 HG3 PRO A 41 -9.367 -10.586 -3.312 1.00 10.00 H new ATOM 0 HD2 PRO A 41 -6.890 -10.496 -4.395 1.00 10.00 H new ATOM 0 HD3 PRO A 41 -7.830 -9.021 -4.270 1.00 10.00 H new ATOM 678 N GLN A 42 -5.412 -11.045 -0.777 1.00 10.00 N ATOM 679 CA GLN A 42 -4.499 -11.809 0.080 1.00 10.00 C ATOM 680 C GLN A 42 -3.276 -10.976 0.486 1.00 10.00 C ATOM 681 O GLN A 42 -2.995 -10.835 1.675 1.00 10.00 O ATOM 682 CB GLN A 42 -4.046 -13.084 -0.647 1.00 10.00 C ATOM 683 CG GLN A 42 -5.252 -13.909 -1.118 1.00 10.00 C ATOM 684 CD GLN A 42 -4.885 -15.270 -1.719 1.00 10.00 C ATOM 685 OE1 GLN A 42 -3.775 -15.776 -1.604 1.00 10.00 O ATOM 686 NE2 GLN A 42 -5.809 -15.922 -2.394 1.00 10.00 N ATOM 0 H GLN A 42 -5.390 -11.346 -1.751 1.00 10.00 H new ATOM 0 HA GLN A 42 -5.037 -12.077 0.989 1.00 10.00 H new ATOM 0 HB2 GLN A 42 -3.427 -12.818 -1.504 1.00 10.00 H new ATOM 0 HB3 GLN A 42 -3.427 -13.686 0.019 1.00 10.00 H new ATOM 0 HG2 GLN A 42 -5.923 -14.066 -0.273 1.00 10.00 H new ATOM 0 HG3 GLN A 42 -5.804 -13.333 -1.861 1.00 10.00 H new ATOM 0 HE21 GLN A 42 -6.740 -15.520 -2.503 1.00 10.00 H new ATOM 0 HE22 GLN A 42 -5.593 -16.829 -2.808 1.00 10.00 H new ATOM 695 N LEU A 43 -2.586 -10.354 -0.481 1.00 10.00 N ATOM 696 CA LEU A 43 -1.479 -9.433 -0.196 1.00 10.00 C ATOM 697 C LEU A 43 -1.936 -8.255 0.668 1.00 10.00 C ATOM 698 O LEU A 43 -1.176 -7.771 1.501 1.00 10.00 O ATOM 699 CB LEU A 43 -0.846 -8.931 -1.508 1.00 10.00 C ATOM 700 CG LEU A 43 0.470 -8.151 -1.341 1.00 10.00 C ATOM 701 CD1 LEU A 43 1.508 -8.864 -0.468 1.00 10.00 C ATOM 702 CD2 LEU A 43 1.091 -7.911 -2.717 1.00 10.00 C ATOM 0 H LEU A 43 -2.779 -10.475 -1.475 1.00 10.00 H new ATOM 0 HA LEU A 43 -0.726 -9.982 0.369 1.00 10.00 H new ATOM 0 HB2 LEU A 43 -0.663 -9.788 -2.156 1.00 10.00 H new ATOM 0 HB3 LEU A 43 -1.566 -8.293 -2.020 1.00 10.00 H new ATOM 0 HG LEU A 43 0.209 -7.219 -0.839 1.00 10.00 H new ATOM 0 HD11 LEU A 43 2.407 -8.252 -0.398 1.00 10.00 H new ATOM 0 HD12 LEU A 43 1.098 -9.021 0.530 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.758 -9.827 -0.913 1.00 10.00 H new ATOM 0 HD21 LEU A 43 2.024 -7.359 -2.604 1.00 10.00 H new ATOM 0 HD22 LEU A 43 1.292 -8.869 -3.197 1.00 10.00 H new ATOM 0 HD23 LEU A 43 0.400 -7.335 -3.332 1.00 10.00 H new ATOM 714 N LEU A 44 -3.192 -7.836 0.511 1.00 10.00 N ATOM 715 CA LEU A 44 -3.763 -6.742 1.307 1.00 10.00 C ATOM 716 C LEU A 44 -3.911 -7.127 2.777 1.00 10.00 C ATOM 717 O LEU A 44 -3.410 -6.448 3.671 1.00 10.00 O ATOM 718 CB LEU A 44 -5.128 -6.362 0.726 1.00 10.00 C ATOM 719 CG LEU A 44 -5.705 -5.006 1.183 1.00 10.00 C ATOM 720 CD1 LEU A 44 -6.783 -5.169 2.244 1.00 10.00 C ATOM 721 CD2 LEU A 44 -4.696 -3.959 1.668 1.00 10.00 C ATOM 0 H LEU A 44 -3.840 -8.240 -0.165 1.00 10.00 H new ATOM 0 HA LEU A 44 -3.083 -5.892 1.260 1.00 10.00 H new ATOM 0 HB2 LEU A 44 -5.048 -6.352 -0.361 1.00 10.00 H new ATOM 0 HB3 LEU A 44 -5.842 -7.144 0.986 1.00 10.00 H new ATOM 0 HG LEU A 44 -6.123 -4.615 0.256 1.00 10.00 H new ATOM 0 HD11 LEU A 44 -7.159 -4.188 2.534 1.00 10.00 H new ATOM 0 HD12 LEU A 44 -7.601 -5.767 1.843 1.00 10.00 H new ATOM 0 HD13 LEU A 44 -6.362 -5.669 3.116 1.00 10.00 H new ATOM 0 HD21 LEU A 44 -5.225 -3.052 1.961 1.00 10.00 H new ATOM 0 HD22 LEU A 44 -4.148 -4.352 2.524 1.00 10.00 H new ATOM 0 HD23 LEU A 44 -3.997 -3.728 0.864 1.00 10.00 H new ATOM 733 N GLN A 45 -4.571 -8.255 3.015 1.00 10.00 N ATOM 734 CA GLN A 45 -4.666 -8.872 4.344 1.00 10.00 C ATOM 735 C GLN A 45 -3.287 -9.135 4.978 1.00 10.00 C ATOM 736 O GLN A 45 -3.126 -8.936 6.185 1.00 10.00 O ATOM 737 CB GLN A 45 -5.496 -10.163 4.266 1.00 10.00 C ATOM 738 CG GLN A 45 -6.994 -9.858 4.108 1.00 10.00 C ATOM 739 CD GLN A 45 -7.793 -11.120 3.796 1.00 10.00 C ATOM 740 OE1 GLN A 45 -8.358 -11.773 4.666 1.00 10.00 O ATOM 741 NE2 GLN A 45 -7.865 -11.510 2.542 1.00 10.00 N ATOM 0 H GLN A 45 -5.061 -8.776 2.288 1.00 10.00 H new ATOM 0 HA GLN A 45 -5.171 -8.162 4.999 1.00 10.00 H new ATOM 0 HB2 GLN A 45 -5.155 -10.766 3.424 1.00 10.00 H new ATOM 0 HB3 GLN A 45 -5.337 -10.755 5.167 1.00 10.00 H new ATOM 0 HG2 GLN A 45 -7.372 -9.404 5.024 1.00 10.00 H new ATOM 0 HG3 GLN A 45 -7.136 -9.130 3.309 1.00 10.00 H new ATOM 0 HE21 GLN A 45 -7.397 -10.972 1.813 1.00 10.00 H new ATOM 0 HE22 GLN A 45 -8.389 -12.351 2.299 1.00 10.00 H new ATOM 750 N GLN A 46 -2.267 -9.519 4.202 1.00 10.00 N ATOM 751 CA GLN A 46 -0.905 -9.703 4.699 1.00 10.00 C ATOM 752 C GLN A 46 -0.210 -8.375 5.033 1.00 10.00 C ATOM 753 O GLN A 46 0.408 -8.266 6.091 1.00 10.00 O ATOM 754 CB GLN A 46 -0.119 -10.483 3.641 1.00 10.00 C ATOM 755 CG GLN A 46 -0.203 -12.004 3.827 1.00 10.00 C ATOM 756 CD GLN A 46 -1.586 -12.659 3.739 1.00 10.00 C ATOM 757 OE1 GLN A 46 -2.447 -12.502 4.595 1.00 10.00 O ATOM 758 NE2 GLN A 46 -1.826 -13.498 2.752 1.00 10.00 N ATOM 0 H GLN A 46 -2.368 -9.711 3.205 1.00 10.00 H new ATOM 0 HA GLN A 46 -0.944 -10.258 5.636 1.00 10.00 H new ATOM 0 HB2 GLN A 46 -0.496 -10.223 2.652 1.00 10.00 H new ATOM 0 HB3 GLN A 46 0.926 -10.176 3.674 1.00 10.00 H new ATOM 0 HG2 GLN A 46 0.436 -12.469 3.077 1.00 10.00 H new ATOM 0 HG3 GLN A 46 0.221 -12.246 4.801 1.00 10.00 H new ATOM 0 HE21 GLN A 46 -1.124 -13.646 2.027 1.00 10.00 H new ATOM 0 HE22 GLN A 46 -2.713 -13.999 2.713 1.00 10.00 H new ATOM 767 N ILE A 47 -0.350 -7.346 4.193 1.00 10.00 N ATOM 768 CA ILE A 47 0.095 -5.976 4.487 1.00 10.00 C ATOM 769 C ILE A 47 -0.583 -5.436 5.753 1.00 10.00 C ATOM 770 O ILE A 47 0.084 -4.848 6.597 1.00 10.00 O ATOM 771 CB ILE A 47 -0.136 -5.075 3.254 1.00 10.00 C ATOM 772 CG1 ILE A 47 0.963 -5.396 2.217 1.00 10.00 C ATOM 773 CG2 ILE A 47 -0.122 -3.580 3.618 1.00 10.00 C ATOM 774 CD1 ILE A 47 0.701 -4.791 0.840 1.00 10.00 C ATOM 0 H ILE A 47 -0.782 -7.440 3.274 1.00 10.00 H new ATOM 0 HA ILE A 47 1.165 -5.980 4.694 1.00 10.00 H new ATOM 0 HB ILE A 47 -1.124 -5.280 2.841 1.00 10.00 H new ATOM 0 HG12 ILE A 47 1.920 -5.030 2.589 1.00 10.00 H new ATOM 0 HG13 ILE A 47 1.052 -6.478 2.118 1.00 10.00 H new ATOM 0 HG21 ILE A 47 -0.288 -2.985 2.720 1.00 10.00 H new ATOM 0 HG22 ILE A 47 -0.911 -3.374 4.341 1.00 10.00 H new ATOM 0 HG23 ILE A 47 0.844 -3.320 4.052 1.00 10.00 H new ATOM 0 HD11 ILE A 47 1.514 -5.058 0.165 1.00 10.00 H new ATOM 0 HD12 ILE A 47 -0.240 -5.176 0.446 1.00 10.00 H new ATOM 0 HD13 ILE A 47 0.641 -3.706 0.925 1.00 10.00 H new ATOM 786 N SER A 48 -1.879 -5.695 5.938 1.00 10.00 N ATOM 787 CA SER A 48 -2.640 -5.268 7.127 1.00 10.00 C ATOM 788 C SER A 48 -2.118 -5.911 8.422 1.00 10.00 C ATOM 789 O SER A 48 -2.090 -5.269 9.472 1.00 10.00 O ATOM 790 CB SER A 48 -4.131 -5.594 6.963 1.00 10.00 C ATOM 791 OG SER A 48 -4.672 -4.951 5.819 1.00 10.00 O ATOM 0 H SER A 48 -2.441 -6.213 5.262 1.00 10.00 H new ATOM 0 HA SER A 48 -2.504 -4.190 7.210 1.00 10.00 H new ATOM 0 HB2 SER A 48 -4.263 -6.672 6.874 1.00 10.00 H new ATOM 0 HB3 SER A 48 -4.675 -5.278 7.853 1.00 10.00 H new ATOM 0 HG SER A 48 -4.316 -5.371 5.008 1.00 10.00 H new ATOM 797 N GLN A 49 -1.642 -7.158 8.340 1.00 10.00 N ATOM 798 CA GLN A 49 -0.975 -7.890 9.427 1.00 10.00 C ATOM 799 C GLN A 49 0.461 -7.403 9.735 1.00 10.00 C ATOM 800 O GLN A 49 1.031 -7.797 10.754 1.00 10.00 O ATOM 801 CB GLN A 49 -0.985 -9.389 9.068 1.00 10.00 C ATOM 802 CG GLN A 49 -2.356 -10.025 9.345 1.00 10.00 C ATOM 803 CD GLN A 49 -2.454 -11.418 8.732 1.00 10.00 C ATOM 804 OE1 GLN A 49 -2.182 -12.437 9.357 1.00 10.00 O ATOM 805 NE2 GLN A 49 -2.833 -11.506 7.477 1.00 10.00 N ATOM 0 H GLN A 49 -1.712 -7.707 7.484 1.00 10.00 H new ATOM 0 HA GLN A 49 -1.531 -7.700 10.345 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -0.731 -9.514 8.015 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -0.219 -9.907 9.645 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.520 -10.086 10.421 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -3.143 -9.390 8.938 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -3.060 -10.661 6.953 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -2.900 -12.419 7.027 1.00 10.00 H new ATOM 814 N HIS A 50 1.042 -6.536 8.893 1.00 10.00 N ATOM 815 CA HIS A 50 2.442 -6.083 8.968 1.00 10.00 C ATOM 816 C HIS A 50 2.597 -4.579 8.639 1.00 10.00 C ATOM 817 O HIS A 50 3.642 -4.156 8.144 1.00 10.00 O ATOM 818 CB HIS A 50 3.297 -6.947 8.017 1.00 10.00 C ATOM 819 CG HIS A 50 3.284 -8.428 8.304 1.00 10.00 C ATOM 820 ND1 HIS A 50 2.437 -9.351 7.737 1.00 10.00 N ATOM 821 CD2 HIS A 50 4.125 -9.115 9.139 1.00 10.00 C ATOM 822 CE1 HIS A 50 2.746 -10.564 8.220 1.00 10.00 C ATOM 823 NE2 HIS A 50 3.777 -10.473 9.081 1.00 10.00 N ATOM 0 H HIS A 50 0.535 -6.116 8.114 1.00 10.00 H new ATOM 0 HA HIS A 50 2.787 -6.205 9.995 1.00 10.00 H new ATOM 0 HB2 HIS A 50 2.948 -6.788 6.997 1.00 10.00 H new ATOM 0 HB3 HIS A 50 4.327 -6.594 8.060 1.00 10.00 H new ATOM 0 HD1 HIS A 50 1.699 -9.148 7.063 1.00 10.00 H new ATOM 0 HD2 HIS A 50 4.916 -8.687 9.737 1.00 10.00 H new ATOM 0 HE1 HIS A 50 2.241 -11.481 7.956 1.00 10.00 H new ATOM 831 N GLN A 51 1.559 -3.762 8.851 1.00 10.00 N ATOM 832 CA GLN A 51 1.426 -2.441 8.222 1.00 10.00 C ATOM 833 C GLN A 51 2.563 -1.453 8.550 1.00 10.00 C ATOM 834 O GLN A 51 2.974 -0.680 7.686 1.00 10.00 O ATOM 835 CB GLN A 51 0.043 -1.870 8.575 1.00 10.00 C ATOM 836 CG GLN A 51 -0.395 -0.798 7.566 1.00 10.00 C ATOM 837 CD GLN A 51 -1.785 -0.230 7.860 1.00 10.00 C ATOM 838 OE1 GLN A 51 -2.713 -0.922 8.260 1.00 10.00 O ATOM 839 NE2 GLN A 51 -1.993 1.058 7.679 1.00 10.00 N ATOM 0 H GLN A 51 0.782 -4.000 9.468 1.00 10.00 H new ATOM 0 HA GLN A 51 1.515 -2.581 7.145 1.00 10.00 H new ATOM 0 HB2 GLN A 51 -0.691 -2.676 8.594 1.00 10.00 H new ATOM 0 HB3 GLN A 51 0.070 -1.440 9.576 1.00 10.00 H new ATOM 0 HG2 GLN A 51 0.331 0.015 7.570 1.00 10.00 H new ATOM 0 HG3 GLN A 51 -0.389 -1.226 6.564 1.00 10.00 H new ATOM 0 HE21 GLN A 51 -1.236 1.655 7.347 1.00 10.00 H new ATOM 0 HE22 GLN A 51 -2.911 1.458 7.871 1.00 10.00 H new ATOM 848 N GLU A 52 3.127 -1.502 9.760 1.00 10.00 N ATOM 849 CA GLU A 52 4.314 -0.707 10.117 1.00 10.00 C ATOM 850 C GLU A 52 5.562 -1.103 9.303 1.00 10.00 C ATOM 851 O GLU A 52 6.313 -0.234 8.857 1.00 10.00 O ATOM 852 CB GLU A 52 4.569 -0.774 11.635 1.00 10.00 C ATOM 853 CG GLU A 52 4.942 -2.164 12.174 1.00 10.00 C ATOM 854 CD GLU A 52 5.015 -2.153 13.714 1.00 10.00 C ATOM 855 OE1 GLU A 52 6.054 -1.725 14.277 1.00 10.00 O ATOM 856 OE2 GLU A 52 4.033 -2.569 14.376 1.00 10.00 O ATOM 0 H GLU A 52 2.779 -2.089 10.518 1.00 10.00 H new ATOM 0 HA GLU A 52 4.106 0.330 9.852 1.00 10.00 H new ATOM 0 HB2 GLU A 52 5.370 -0.078 11.884 1.00 10.00 H new ATOM 0 HB3 GLU A 52 3.674 -0.429 12.153 1.00 10.00 H new ATOM 0 HG2 GLU A 52 4.204 -2.896 11.846 1.00 10.00 H new ATOM 0 HG3 GLU A 52 5.903 -2.473 11.762 1.00 10.00 H new ATOM 863 N HIS A 53 5.756 -2.400 9.035 1.00 10.00 N ATOM 864 CA HIS A 53 6.836 -2.903 8.184 1.00 10.00 C ATOM 865 C HIS A 53 6.591 -2.564 6.708 1.00 10.00 C ATOM 866 O HIS A 53 7.533 -2.193 6.011 1.00 10.00 O ATOM 867 CB HIS A 53 7.000 -4.421 8.366 1.00 10.00 C ATOM 868 CG HIS A 53 7.233 -4.841 9.796 1.00 10.00 C ATOM 869 ND1 HIS A 53 6.338 -5.496 10.612 1.00 10.00 N ATOM 870 CD2 HIS A 53 8.372 -4.637 10.530 1.00 10.00 C ATOM 871 CE1 HIS A 53 6.920 -5.685 11.809 1.00 10.00 C ATOM 872 NE2 HIS A 53 8.166 -5.176 11.808 1.00 10.00 N ATOM 0 H HIS A 53 5.159 -3.137 9.409 1.00 10.00 H new ATOM 0 HA HIS A 53 7.759 -2.410 8.490 1.00 10.00 H new ATOM 0 HB2 HIS A 53 6.107 -4.921 7.991 1.00 10.00 H new ATOM 0 HB3 HIS A 53 7.836 -4.762 7.756 1.00 10.00 H new ATOM 0 HD2 HIS A 53 9.271 -4.147 10.185 1.00 10.00 H new ATOM 0 HE1 HIS A 53 6.454 -6.175 12.651 1.00 10.00 H new ATOM 0 HE2 HIS A 53 8.829 -5.181 12.583 1.00 10.00 H new ATOM 880 N PHE A 54 5.335 -2.619 6.240 1.00 10.00 N ATOM 881 CA PHE A 54 4.964 -2.168 4.893 1.00 10.00 C ATOM 882 C PHE A 54 5.322 -0.700 4.689 1.00 10.00 C ATOM 883 O PHE A 54 6.030 -0.383 3.737 1.00 10.00 O ATOM 884 CB PHE A 54 3.464 -2.387 4.638 1.00 10.00 C ATOM 885 CG PHE A 54 2.971 -1.791 3.328 1.00 10.00 C ATOM 886 CD1 PHE A 54 3.500 -2.244 2.105 1.00 10.00 C ATOM 887 CD2 PHE A 54 2.000 -0.770 3.328 1.00 10.00 C ATOM 888 CE1 PHE A 54 3.057 -1.689 0.890 1.00 10.00 C ATOM 889 CE2 PHE A 54 1.553 -0.219 2.113 1.00 10.00 C ATOM 890 CZ PHE A 54 2.081 -0.678 0.894 1.00 10.00 C ATOM 0 H PHE A 54 4.550 -2.977 6.785 1.00 10.00 H new ATOM 0 HA PHE A 54 5.530 -2.763 4.177 1.00 10.00 H new ATOM 0 HB2 PHE A 54 3.257 -3.457 4.640 1.00 10.00 H new ATOM 0 HB3 PHE A 54 2.898 -1.951 5.461 1.00 10.00 H new ATOM 0 HD1 PHE A 54 4.250 -3.021 2.099 1.00 10.00 H new ATOM 0 HD2 PHE A 54 1.598 -0.409 4.263 1.00 10.00 H new ATOM 0 HE1 PHE A 54 3.467 -2.040 -0.045 1.00 10.00 H new ATOM 0 HE2 PHE A 54 0.803 0.558 2.117 1.00 10.00 H new ATOM 0 HZ PHE A 54 1.737 -0.254 -0.038 1.00 10.00 H new ATOM 900 N ILE A 55 4.908 0.191 5.597 1.00 10.00 N ATOM 901 CA ILE A 55 5.214 1.627 5.508 1.00 10.00 C ATOM 902 C ILE A 55 6.733 1.880 5.477 1.00 10.00 C ATOM 903 O ILE A 55 7.193 2.688 4.676 1.00 10.00 O ATOM 904 CB ILE A 55 4.459 2.416 6.587 1.00 10.00 C ATOM 905 CG1 ILE A 55 2.963 2.419 6.190 1.00 10.00 C ATOM 906 CG2 ILE A 55 4.991 3.853 6.752 1.00 10.00 C ATOM 907 CD1 ILE A 55 2.038 3.004 7.253 1.00 10.00 C ATOM 0 H ILE A 55 4.352 -0.061 6.414 1.00 10.00 H new ATOM 0 HA ILE A 55 4.847 2.009 4.555 1.00 10.00 H new ATOM 0 HB ILE A 55 4.606 1.938 7.556 1.00 10.00 H new ATOM 0 HG12 ILE A 55 2.844 2.987 5.267 1.00 10.00 H new ATOM 0 HG13 ILE A 55 2.653 1.396 5.977 1.00 10.00 H new ATOM 0 HG21 ILE A 55 4.421 4.365 7.527 1.00 10.00 H new ATOM 0 HG22 ILE A 55 6.043 3.821 7.036 1.00 10.00 H new ATOM 0 HG23 ILE A 55 4.886 4.390 5.810 1.00 10.00 H new ATOM 0 HD11 ILE A 55 1.008 2.970 6.898 1.00 10.00 H new ATOM 0 HD12 ILE A 55 2.125 2.423 8.171 1.00 10.00 H new ATOM 0 HD13 ILE A 55 2.319 4.038 7.451 1.00 10.00 H new ATOM 919 N GLN A 56 7.528 1.134 6.254 1.00 10.00 N ATOM 920 CA GLN A 56 9.000 1.214 6.245 1.00 10.00 C ATOM 921 C GLN A 56 9.693 0.564 5.016 1.00 10.00 C ATOM 922 O GLN A 56 10.924 0.556 4.934 1.00 10.00 O ATOM 923 CB GLN A 56 9.557 0.658 7.570 1.00 10.00 C ATOM 924 CG GLN A 56 9.196 1.514 8.801 1.00 10.00 C ATOM 925 CD GLN A 56 9.812 2.918 8.819 1.00 10.00 C ATOM 926 OE1 GLN A 56 10.669 3.293 8.027 1.00 10.00 O ATOM 927 NE2 GLN A 56 9.389 3.767 9.732 1.00 10.00 N ATOM 0 H GLN A 56 7.166 0.448 6.916 1.00 10.00 H new ATOM 0 HA GLN A 56 9.243 2.272 6.150 1.00 10.00 H new ATOM 0 HB2 GLN A 56 9.178 -0.353 7.718 1.00 10.00 H new ATOM 0 HB3 GLN A 56 10.642 0.584 7.495 1.00 10.00 H new ATOM 0 HG2 GLN A 56 8.111 1.609 8.853 1.00 10.00 H new ATOM 0 HG3 GLN A 56 9.513 0.983 9.699 1.00 10.00 H new ATOM 0 HE21 GLN A 56 8.676 3.481 10.403 1.00 10.00 H new ATOM 0 HE22 GLN A 56 9.774 4.711 9.768 1.00 10.00 H new ATOM 936 N MET A 57 8.931 0.048 4.044 1.00 10.00 N ATOM 937 CA MET A 57 9.407 -0.373 2.712 1.00 10.00 C ATOM 938 C MET A 57 8.819 0.514 1.602 1.00 10.00 C ATOM 939 O MET A 57 9.510 0.894 0.660 1.00 10.00 O ATOM 940 CB MET A 57 9.031 -1.844 2.470 1.00 10.00 C ATOM 941 CG MET A 57 9.725 -2.782 3.461 1.00 10.00 C ATOM 942 SD MET A 57 9.563 -4.542 3.056 1.00 10.00 S ATOM 943 CE MET A 57 9.784 -5.248 4.712 1.00 10.00 C ATOM 0 H MET A 57 7.928 -0.095 4.164 1.00 10.00 H new ATOM 0 HA MET A 57 10.491 -0.265 2.685 1.00 10.00 H new ATOM 0 HB2 MET A 57 7.951 -1.961 2.555 1.00 10.00 H new ATOM 0 HB3 MET A 57 9.303 -2.125 1.453 1.00 10.00 H new ATOM 0 HG2 MET A 57 10.784 -2.527 3.505 1.00 10.00 H new ATOM 0 HG3 MET A 57 9.314 -2.610 4.456 1.00 10.00 H new ATOM 0 HE1 MET A 57 9.715 -6.334 4.657 1.00 10.00 H new ATOM 0 HE2 MET A 57 10.763 -4.966 5.100 1.00 10.00 H new ATOM 0 HE3 MET A 57 9.007 -4.868 5.376 1.00 10.00 H new ATOM 953 N LEU A 58 7.555 0.908 1.751 1.00 10.00 N ATOM 954 CA LEU A 58 6.820 1.900 0.977 1.00 10.00 C ATOM 955 C LEU A 58 7.516 3.281 0.951 1.00 10.00 C ATOM 956 O LEU A 58 7.623 3.897 -0.111 1.00 10.00 O ATOM 957 CB LEU A 58 5.431 1.868 1.628 1.00 10.00 C ATOM 958 CG LEU A 58 4.339 2.874 1.270 1.00 10.00 C ATOM 959 CD1 LEU A 58 4.413 4.106 2.180 1.00 10.00 C ATOM 960 CD2 LEU A 58 4.267 3.248 -0.214 1.00 10.00 C ATOM 0 H LEU A 58 6.970 0.503 2.482 1.00 10.00 H new ATOM 0 HA LEU A 58 6.764 1.683 -0.090 1.00 10.00 H new ATOM 0 HB2 LEU A 58 5.019 0.877 1.437 1.00 10.00 H new ATOM 0 HB3 LEU A 58 5.588 1.946 2.704 1.00 10.00 H new ATOM 0 HG LEU A 58 3.395 2.362 1.456 1.00 10.00 H new ATOM 0 HD11 LEU A 58 3.626 4.808 1.906 1.00 10.00 H new ATOM 0 HD12 LEU A 58 4.282 3.800 3.218 1.00 10.00 H new ATOM 0 HD13 LEU A 58 5.384 4.586 2.064 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.462 3.967 -0.370 1.00 10.00 H new ATOM 0 HD22 LEU A 58 5.214 3.691 -0.524 1.00 10.00 H new ATOM 0 HD23 LEU A 58 4.074 2.353 -0.806 1.00 10.00 H new ATOM 972 N ASN A 59 8.052 3.739 2.087 1.00 10.00 N ATOM 973 CA ASN A 59 8.624 5.084 2.282 1.00 10.00 C ATOM 974 C ASN A 59 10.049 5.282 1.715 1.00 10.00 C ATOM 975 O ASN A 59 10.589 6.390 1.757 1.00 10.00 O ATOM 976 CB ASN A 59 8.565 5.438 3.784 1.00 10.00 C ATOM 977 CG ASN A 59 9.541 4.677 4.676 1.00 10.00 C ATOM 978 OD1 ASN A 59 10.230 3.748 4.278 1.00 10.00 O ATOM 979 ND2 ASN A 59 9.624 5.050 5.933 1.00 10.00 N ATOM 0 H ASN A 59 8.103 3.166 2.929 1.00 10.00 H new ATOM 0 HA ASN A 59 8.012 5.770 1.696 1.00 10.00 H new ATOM 0 HB2 ASN A 59 8.754 6.506 3.896 1.00 10.00 H new ATOM 0 HB3 ASN A 59 7.552 5.255 4.143 1.00 10.00 H new ATOM 0 HD21 ASN A 59 10.259 4.566 6.568 1.00 10.00 H new ATOM 0 HD22 ASN A 59 9.053 5.824 6.274 1.00 10.00 H new ATOM 986 N GLU A 60 10.665 4.217 1.202 1.00 10.00 N ATOM 987 CA GLU A 60 12.000 4.203 0.589 1.00 10.00 C ATOM 988 C GLU A 60 12.106 5.114 -0.659 1.00 10.00 C ATOM 989 O GLU A 60 11.080 5.442 -1.272 1.00 10.00 O ATOM 990 CB GLU A 60 12.313 2.746 0.224 1.00 10.00 C ATOM 991 CG GLU A 60 12.708 1.911 1.449 1.00 10.00 C ATOM 992 CD GLU A 60 14.162 2.177 1.892 1.00 10.00 C ATOM 993 OE1 GLU A 60 14.406 3.120 2.683 1.00 10.00 O ATOM 994 OE2 GLU A 60 15.074 1.437 1.450 1.00 10.00 O ATOM 0 H GLU A 60 10.229 3.295 1.201 1.00 10.00 H new ATOM 0 HA GLU A 60 12.723 4.603 1.300 1.00 10.00 H new ATOM 0 HB2 GLU A 60 11.441 2.298 -0.253 1.00 10.00 H new ATOM 0 HB3 GLU A 60 13.123 2.722 -0.505 1.00 10.00 H new ATOM 0 HG2 GLU A 60 12.032 2.137 2.274 1.00 10.00 H new ATOM 0 HG3 GLU A 60 12.588 0.852 1.219 1.00 10.00 H new ATOM 1001 N PRO A 61 13.320 5.476 -1.118 1.00 10.00 N ATOM 1002 CA PRO A 61 13.498 6.163 -2.398 1.00 10.00 C ATOM 1003 C PRO A 61 12.997 5.307 -3.575 1.00 10.00 C ATOM 1004 O PRO A 61 12.929 4.076 -3.493 1.00 10.00 O ATOM 1005 CB PRO A 61 14.989 6.499 -2.492 1.00 10.00 C ATOM 1006 CG PRO A 61 15.650 5.458 -1.598 1.00 10.00 C ATOM 1007 CD PRO A 61 14.613 5.196 -0.510 1.00 10.00 C ATOM 0 HA PRO A 61 12.903 7.074 -2.453 1.00 10.00 H new ATOM 0 HB2 PRO A 61 15.350 6.433 -3.518 1.00 10.00 H new ATOM 0 HB3 PRO A 61 15.194 7.512 -2.146 1.00 10.00 H new ATOM 0 HG2 PRO A 61 15.887 4.549 -2.151 1.00 10.00 H new ATOM 0 HG3 PRO A 61 16.585 5.828 -1.178 1.00 10.00 H new ATOM 0 HD2 PRO A 61 14.665 4.165 -0.160 1.00 10.00 H new ATOM 0 HD3 PRO A 61 14.785 5.836 0.356 1.00 10.00 H new ATOM 1015 N VAL A 62 12.625 5.958 -4.678 1.00 10.00 N ATOM 1016 CA VAL A 62 11.937 5.344 -5.827 1.00 10.00 C ATOM 1017 C VAL A 62 12.837 5.114 -7.049 1.00 10.00 C ATOM 1018 O VAL A 62 12.423 4.439 -7.992 1.00 10.00 O ATOM 1019 CB VAL A 62 10.707 6.191 -6.201 1.00 10.00 C ATOM 1020 CG1 VAL A 62 9.628 6.091 -5.116 1.00 10.00 C ATOM 1021 CG2 VAL A 62 11.033 7.671 -6.456 1.00 10.00 C ATOM 0 H VAL A 62 12.796 6.955 -4.806 1.00 10.00 H new ATOM 0 HA VAL A 62 11.627 4.348 -5.511 1.00 10.00 H new ATOM 0 HB VAL A 62 10.339 5.775 -7.139 1.00 10.00 H new ATOM 0 HG11 VAL A 62 8.768 6.697 -5.401 1.00 10.00 H new ATOM 0 HG12 VAL A 62 9.319 5.052 -5.005 1.00 10.00 H new ATOM 0 HG13 VAL A 62 10.029 6.453 -4.169 1.00 10.00 H new ATOM 0 HG21 VAL A 62 10.119 8.206 -6.714 1.00 10.00 H new ATOM 0 HG22 VAL A 62 11.467 8.108 -5.557 1.00 10.00 H new ATOM 0 HG23 VAL A 62 11.744 7.750 -7.278 1.00 10.00 H new ATOM 1031 N GLN A 63 14.069 5.629 -7.032 1.00 10.00 N ATOM 1032 CA GLN A 63 15.058 5.504 -8.111 1.00 10.00 C ATOM 1033 C GLN A 63 16.503 5.546 -7.575 1.00 10.00 C ATOM 1034 O GLN A 63 16.739 5.901 -6.417 1.00 10.00 O ATOM 1035 CB GLN A 63 14.798 6.593 -9.174 1.00 10.00 C ATOM 1036 CG GLN A 63 14.968 8.038 -8.672 1.00 10.00 C ATOM 1037 CD GLN A 63 14.468 9.052 -9.701 1.00 10.00 C ATOM 1038 OE1 GLN A 63 13.274 9.253 -9.887 1.00 10.00 O ATOM 1039 NE2 GLN A 63 15.343 9.730 -10.412 1.00 10.00 N ATOM 0 H GLN A 63 14.420 6.165 -6.238 1.00 10.00 H new ATOM 0 HA GLN A 63 14.944 4.527 -8.581 1.00 10.00 H new ATOM 0 HB2 GLN A 63 15.476 6.432 -10.012 1.00 10.00 H new ATOM 0 HB3 GLN A 63 13.784 6.473 -9.557 1.00 10.00 H new ATOM 0 HG2 GLN A 63 14.421 8.166 -7.738 1.00 10.00 H new ATOM 0 HG3 GLN A 63 16.019 8.227 -8.454 1.00 10.00 H new ATOM 0 HE21 GLN A 63 16.342 9.577 -10.272 1.00 10.00 H new ATOM 0 HE22 GLN A 63 15.023 10.408 -11.103 1.00 10.00 H new ATOM 1048 N GLU A 64 17.473 5.197 -8.425 1.00 10.00 N ATOM 1049 CA GLU A 64 18.896 5.019 -8.064 1.00 10.00 C ATOM 1050 C GLU A 64 19.852 5.875 -8.930 1.00 10.00 C ATOM 1051 O GLU A 64 21.074 5.709 -8.880 1.00 10.00 O ATOM 1052 CB GLU A 64 19.260 3.522 -8.140 1.00 10.00 C ATOM 1053 CG GLU A 64 18.447 2.650 -7.172 1.00 10.00 C ATOM 1054 CD GLU A 64 18.912 1.183 -7.232 1.00 10.00 C ATOM 1055 OE1 GLU A 64 18.405 0.412 -8.085 1.00 10.00 O ATOM 1056 OE2 GLU A 64 19.785 0.780 -6.423 1.00 10.00 O ATOM 0 H GLU A 64 17.292 5.024 -9.414 1.00 10.00 H new ATOM 0 HA GLU A 64 19.026 5.375 -7.042 1.00 10.00 H new ATOM 0 HB2 GLU A 64 19.101 3.168 -9.158 1.00 10.00 H new ATOM 0 HB3 GLU A 64 20.321 3.402 -7.923 1.00 10.00 H new ATOM 0 HG2 GLU A 64 18.556 3.029 -6.156 1.00 10.00 H new ATOM 0 HG3 GLU A 64 17.388 2.711 -7.423 1.00 10.00 H new ATOM 1063 N ALA A 65 19.299 6.802 -9.720 1.00 10.00 N ATOM 1064 CA ALA A 65 20.010 7.732 -10.603 1.00 10.00 C ATOM 1065 C ALA A 65 19.256 9.078 -10.709 1.00 10.00 C ATOM 1066 O ALA A 65 18.146 9.220 -10.188 1.00 10.00 O ATOM 1067 CB ALA A 65 20.173 7.056 -11.975 1.00 10.00 C ATOM 0 H ALA A 65 18.288 6.930 -9.762 1.00 10.00 H new ATOM 0 HA ALA A 65 20.994 7.963 -10.196 1.00 10.00 H new ATOM 0 HB1 ALA A 65 20.700 7.729 -12.652 1.00 10.00 H new ATOM 0 HB2 ALA A 65 20.744 6.135 -11.861 1.00 10.00 H new ATOM 0 HB3 ALA A 65 19.190 6.825 -12.386 1.00 10.00 H new ATOM 1073 N GLY A 66 19.841 10.065 -11.395 1.00 10.00 N ATOM 1074 CA GLY A 66 19.223 11.383 -11.616 1.00 10.00 C ATOM 1075 C GLY A 66 20.165 12.466 -12.159 1.00 10.00 C ATOM 1076 O GLY A 66 19.702 13.404 -12.810 1.00 10.00 O ATOM 0 H GLY A 66 20.765 9.974 -11.818 1.00 10.00 H new ATOM 0 HA2 GLY A 66 18.393 11.265 -12.312 1.00 10.00 H new ATOM 0 HA3 GLY A 66 18.801 11.731 -10.673 1.00 10.00 H new ATOM 1080 N GLY A 67 21.481 12.338 -11.944 1.00 10.00 N ATOM 1081 CA GLY A 67 22.505 13.296 -12.398 1.00 10.00 C ATOM 1082 C GLY A 67 22.510 13.579 -13.910 1.00 10.00 C ATOM 1083 O GLY A 67 22.865 14.681 -14.331 1.00 10.00 O ATOM 0 H GLY A 67 21.876 11.546 -11.437 1.00 10.00 H new ATOM 0 HA2 GLY A 67 22.359 14.238 -11.868 1.00 10.00 H new ATOM 0 HA3 GLY A 67 23.486 12.918 -12.112 1.00 10.00 H new ATOM 1087 N GLN A 68 22.058 12.622 -14.728 1.00 10.00 N ATOM 1088 CA GLN A 68 21.861 12.764 -16.178 1.00 10.00 C ATOM 1089 C GLN A 68 20.787 13.799 -16.587 1.00 10.00 C ATOM 1090 O GLN A 68 20.696 14.162 -17.763 1.00 10.00 O ATOM 1091 CB GLN A 68 21.596 11.382 -16.813 1.00 10.00 C ATOM 1092 CG GLN A 68 20.225 10.727 -16.528 1.00 10.00 C ATOM 1093 CD GLN A 68 20.080 10.015 -15.180 1.00 10.00 C ATOM 1094 OE1 GLN A 68 20.920 10.069 -14.289 1.00 10.00 O ATOM 1095 NE2 GLN A 68 18.992 9.306 -14.971 1.00 10.00 N ATOM 0 H GLN A 68 21.810 11.693 -14.388 1.00 10.00 H new ATOM 0 HA GLN A 68 22.791 13.174 -16.572 1.00 10.00 H new ATOM 0 HB2 GLN A 68 21.706 11.479 -17.893 1.00 10.00 H new ATOM 0 HB3 GLN A 68 22.374 10.699 -16.473 1.00 10.00 H new ATOM 0 HG2 GLN A 68 19.458 11.498 -16.592 1.00 10.00 H new ATOM 0 HG3 GLN A 68 20.019 10.006 -17.319 1.00 10.00 H new ATOM 0 HE21 GLN A 68 18.277 9.244 -15.695 1.00 10.00 H new ATOM 0 HE22 GLN A 68 18.864 8.818 -14.084 1.00 10.00 H new ATOM 1104 N GLY A 69 19.980 14.296 -15.640 1.00 10.00 N ATOM 1105 CA GLY A 69 18.923 15.295 -15.858 1.00 10.00 C ATOM 1106 C GLY A 69 19.405 16.749 -16.012 1.00 10.00 C ATOM 1107 O GLY A 69 18.575 17.658 -16.097 1.00 10.00 O ATOM 0 H GLY A 69 20.047 14.003 -14.665 1.00 10.00 H new ATOM 0 HA2 GLY A 69 18.366 15.019 -16.753 1.00 10.00 H new ATOM 0 HA3 GLY A 69 18.226 15.249 -15.021 1.00 10.00 H new ATOM 1111 N GLY A 70 20.721 16.991 -16.049 1.00 10.00 N ATOM 1112 CA GLY A 70 21.330 18.315 -16.231 1.00 10.00 C ATOM 1113 C GLY A 70 22.803 18.260 -16.660 1.00 10.00 C ATOM 1114 O GLY A 70 23.385 17.182 -16.815 1.00 10.00 O ATOM 0 H GLY A 70 21.413 16.248 -15.950 1.00 10.00 H new ATOM 0 HA2 GLY A 70 20.762 18.867 -16.980 1.00 10.00 H new ATOM 0 HA3 GLY A 70 21.253 18.873 -15.298 1.00 10.00 H new ATOM 1118 N GLY A 71 23.407 19.434 -16.868 1.00 10.00 N ATOM 1119 CA GLY A 71 24.798 19.588 -17.314 1.00 10.00 C ATOM 1120 C GLY A 71 25.211 21.049 -17.549 1.00 10.00 C ATOM 1121 O GLY A 71 24.425 21.977 -17.323 1.00 10.00 O ATOM 0 H GLY A 71 22.932 20.326 -16.728 1.00 10.00 H new ATOM 0 HA2 GLY A 71 25.460 19.147 -16.569 1.00 10.00 H new ATOM 0 HA3 GLY A 71 24.939 19.026 -18.238 1.00 10.00 H new ATOM 1125 N GLY A 72 26.452 21.253 -18.007 1.00 10.00 N ATOM 1126 CA GLY A 72 27.046 22.570 -18.297 1.00 10.00 C ATOM 1127 C GLY A 72 28.447 22.468 -18.901 1.00 10.00 C ATOM 1128 O GLY A 72 28.578 22.661 -20.130 1.00 10.00 O ATOM 1129 OXT GLY A 72 29.399 22.182 -18.143 1.00 10.00 O ATOM 0 H GLY A 72 27.094 20.483 -18.193 1.00 10.00 H new ATOM 0 HA2 GLY A 72 26.397 23.113 -18.985 1.00 10.00 H new ATOM 0 HA3 GLY A 72 27.093 23.153 -17.377 1.00 10.00 H new TER 1133 GLY A 72