USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 886 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: B 47 GLN : amide:sc= -2.27 K(o=-2.7,f=-0.2) USER MOD Set 1.2: B 51 GLN : amide:sc= -0.384 K(o=-2.7,f=-0.2) USER MOD Set 2.1: B 34 MET CE :methyl 161:sc= -1.39 (180deg=-1.8) USER MOD Set 2.2: B 38 GLN : amide:sc= -0.0029 X(o=-1.4,f=-1.8) USER MOD Set 3.1: A 47 GLN : amide:sc= -2.31 K(o=-2.7,f=-0.19) USER MOD Set 3.2: A 51 GLN : amide:sc= -0.428 K(o=-2.7,f=-0.19) USER MOD Set 4.1: A 34 MET CE :methyl 164:sc= -1.32 (180deg=-1.63) USER MOD Set 4.2: A 38 GLN : amide:sc=-0.00526 X(o=-1.3,f=-1.7) USER MOD Single : A 12 ASN : amide:sc= -0.365 K(o=-0.37,f=-2.1!) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -165:sc= 0 (180deg=-0.249) USER MOD Single : A 18 SER OG : rot -131:sc= -2.61 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.0876 X(o=-0.088,f=-0.083) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HE2:sc= -0.647 K(o=-0.65,f=-2.3) USER MOD Single : A 33 MET CE :methyl -140:sc= -11.6! (180deg=-13.7!) USER MOD Single : A 35 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.786 X(o=-0.79,f=-0.76) USER MOD Single : A 39 ASN : amide:sc= -0.0198 K(o=-0.02,f=-1.9!) USER MOD Single : A 53 HIS : no HE2:sc= -0.342 K(o=-0.34,f=-2.7!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 170:sc= 0 USER MOD Single : B 12 ASN : amide:sc= -0.356 K(o=-0.36,f=-2.2!) USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 MET CE :methyl -165:sc= 0 (180deg=-0.263) USER MOD Single : B 18 SER OG : rot -131:sc= -2.64 USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 24 GLN : amide:sc= -0.0807 X(o=-0.081,f=-0.074) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HE2:sc= -0.568 K(o=-0.57,f=-2.2) USER MOD Single : B 33 MET CE :methyl -140:sc= -11.6! (180deg=-14.2!) USER MOD Single : B 35 GLN : amide:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : B 36 HIS : no HD1:sc= -0.837 X(o=-0.84,f=-0.79) USER MOD Single : B 39 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : B 53 HIS : no HE2:sc= -0.181 K(o=-0.18,f=-2.5!) USER MOD Single : B 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 8 -19.712 7.143 -27.531 1.00 0.00 N ATOM 2 CA LEU A 8 -20.579 8.164 -28.185 1.00 0.00 C ATOM 3 C LEU A 8 -21.534 8.783 -27.161 1.00 0.00 C ATOM 4 O LEU A 8 -22.535 8.197 -26.798 1.00 0.00 O ATOM 5 CB LEU A 8 -21.360 7.396 -29.251 1.00 0.00 C ATOM 6 CG LEU A 8 -21.397 8.212 -30.545 1.00 0.00 C ATOM 7 CD1 LEU A 8 -21.380 7.266 -31.746 1.00 0.00 C ATOM 8 CD2 LEU A 8 -22.674 9.054 -30.578 1.00 0.00 C ATOM 0 HA LEU A 8 -20.001 8.983 -28.614 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -20.893 6.428 -29.432 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -22.374 7.200 -28.903 1.00 0.00 H new ATOM 0 HG LEU A 8 -20.527 8.867 -30.587 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -21.406 7.847 -32.668 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -20.471 6.664 -31.722 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -22.250 6.611 -31.705 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -22.702 9.636 -31.499 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -23.544 8.398 -30.536 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -22.687 9.729 -29.722 1.00 0.00 H new ATOM 20 N GLU A 9 -21.233 9.964 -26.693 1.00 0.00 N ATOM 21 CA GLU A 9 -22.125 10.619 -25.692 1.00 0.00 C ATOM 22 C GLU A 9 -22.372 9.677 -24.506 1.00 0.00 C ATOM 23 O GLU A 9 -23.335 8.937 -24.497 1.00 0.00 O ATOM 24 CB GLU A 9 -23.429 10.890 -26.442 1.00 0.00 C ATOM 25 CG GLU A 9 -23.907 12.312 -26.139 1.00 0.00 C ATOM 26 CD GLU A 9 -25.436 12.345 -26.122 1.00 0.00 C ATOM 27 OE1 GLU A 9 -26.020 11.507 -25.456 1.00 0.00 O ATOM 28 OE2 GLU A 9 -25.997 13.208 -26.777 1.00 0.00 O ATOM 0 H GLU A 9 -20.409 10.503 -26.960 1.00 0.00 H new ATOM 0 HA GLU A 9 -21.691 11.533 -25.286 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -23.276 10.767 -27.514 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -24.189 10.168 -26.143 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -23.515 12.641 -25.177 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.526 13.003 -26.891 1.00 0.00 H new ATOM 35 N PRO A 10 -21.489 9.734 -23.538 1.00 0.00 N ATOM 36 CA PRO A 10 -21.624 8.869 -22.341 1.00 0.00 C ATOM 37 C PRO A 10 -22.764 9.367 -21.447 1.00 0.00 C ATOM 38 O PRO A 10 -23.658 8.623 -21.097 1.00 0.00 O ATOM 39 CB PRO A 10 -20.278 9.014 -21.637 1.00 0.00 C ATOM 40 CG PRO A 10 -19.743 10.336 -22.088 1.00 0.00 C ATOM 41 CD PRO A 10 -20.299 10.594 -23.464 1.00 0.00 C ATOM 0 HA PRO A 10 -21.860 7.834 -22.586 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -20.395 8.985 -20.554 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -19.602 8.202 -21.907 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -20.039 11.127 -21.399 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -18.653 10.323 -22.109 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -20.557 11.644 -23.599 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -19.576 10.342 -24.240 1.00 0.00 H new ATOM 49 N ASP A 11 -22.738 10.623 -21.079 1.00 0.00 N ATOM 50 CA ASP A 11 -23.815 11.186 -20.205 1.00 0.00 C ATOM 51 C ASP A 11 -23.856 10.447 -18.864 1.00 0.00 C ATOM 52 O ASP A 11 -23.332 10.913 -17.873 1.00 0.00 O ATOM 53 CB ASP A 11 -25.123 10.979 -20.977 1.00 0.00 C ATOM 54 CG ASP A 11 -25.681 12.337 -21.408 1.00 0.00 C ATOM 55 OD1 ASP A 11 -24.914 13.135 -21.920 1.00 0.00 O ATOM 56 OD2 ASP A 11 -26.866 12.555 -21.216 1.00 0.00 O ATOM 0 H ASP A 11 -22.013 11.288 -21.348 1.00 0.00 H new ATOM 0 HA ASP A 11 -23.645 12.239 -19.980 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -24.947 10.352 -21.851 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -25.848 10.458 -20.352 1.00 0.00 H new ATOM 61 N ASN A 12 -24.474 9.299 -18.826 1.00 0.00 N ATOM 62 CA ASN A 12 -24.549 8.533 -17.550 1.00 0.00 C ATOM 63 C ASN A 12 -24.456 7.030 -17.830 1.00 0.00 C ATOM 64 O ASN A 12 -24.977 6.218 -17.092 1.00 0.00 O ATOM 65 CB ASN A 12 -25.913 8.885 -16.956 1.00 0.00 C ATOM 66 CG ASN A 12 -27.013 8.548 -17.964 1.00 0.00 C ATOM 67 OD1 ASN A 12 -27.302 9.329 -18.849 1.00 0.00 O ATOM 68 ND2 ASN A 12 -27.642 7.408 -17.869 1.00 0.00 N ATOM 0 H ASN A 12 -24.931 8.858 -19.624 1.00 0.00 H new ATOM 0 HA ASN A 12 -23.733 8.780 -16.871 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -26.072 8.332 -16.030 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -25.949 9.945 -16.704 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -28.376 7.173 -18.537 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -27.400 6.752 -17.126 1.00 0.00 H new ATOM 75 N VAL A 13 -23.797 6.655 -18.892 1.00 0.00 N ATOM 76 CA VAL A 13 -23.671 5.206 -19.219 1.00 0.00 C ATOM 77 C VAL A 13 -22.471 4.593 -18.466 1.00 0.00 C ATOM 78 O VAL A 13 -22.606 3.553 -17.851 1.00 0.00 O ATOM 79 CB VAL A 13 -23.501 5.165 -20.754 1.00 0.00 C ATOM 80 CG1 VAL A 13 -22.670 3.951 -21.194 1.00 0.00 C ATOM 81 CG2 VAL A 13 -24.884 5.078 -21.403 1.00 0.00 C ATOM 0 H VAL A 13 -23.340 7.289 -19.548 1.00 0.00 H new ATOM 0 HA VAL A 13 -24.534 4.616 -18.911 1.00 0.00 H new ATOM 0 HB VAL A 13 -22.980 6.070 -21.066 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -22.570 3.953 -22.279 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.681 4.002 -20.738 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -23.168 3.035 -20.877 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -24.776 5.048 -22.487 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -25.389 4.173 -21.064 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -25.474 5.950 -21.121 1.00 0.00 H new ATOM 91 N PRO A 14 -21.338 5.250 -18.532 1.00 0.00 N ATOM 92 CA PRO A 14 -20.137 4.739 -17.840 1.00 0.00 C ATOM 93 C PRO A 14 -20.171 5.131 -16.360 1.00 0.00 C ATOM 94 O PRO A 14 -20.439 4.314 -15.500 1.00 0.00 O ATOM 95 CB PRO A 14 -18.985 5.424 -18.568 1.00 0.00 C ATOM 96 CG PRO A 14 -19.565 6.672 -19.166 1.00 0.00 C ATOM 97 CD PRO A 14 -21.065 6.506 -19.239 1.00 0.00 C ATOM 0 HA PRO A 14 -20.054 3.652 -17.861 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.173 5.661 -17.880 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -18.570 4.776 -19.340 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.307 7.540 -18.559 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.153 6.845 -20.160 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -21.579 7.344 -18.769 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -21.408 6.461 -20.273 1.00 0.00 H new ATOM 105 N MET A 15 -19.907 6.372 -16.054 1.00 0.00 N ATOM 106 CA MET A 15 -19.932 6.811 -14.630 1.00 0.00 C ATOM 107 C MET A 15 -19.671 8.317 -14.536 1.00 0.00 C ATOM 108 O MET A 15 -18.661 8.812 -14.995 1.00 0.00 O ATOM 109 CB MET A 15 -18.809 6.028 -13.947 1.00 0.00 C ATOM 110 CG MET A 15 -19.382 5.228 -12.776 1.00 0.00 C ATOM 111 SD MET A 15 -18.483 3.666 -12.615 1.00 0.00 S ATOM 112 CE MET A 15 -19.426 3.004 -11.219 1.00 0.00 C ATOM 0 H MET A 15 -19.675 7.101 -16.729 1.00 0.00 H new ATOM 0 HA MET A 15 -20.898 6.625 -14.161 1.00 0.00 H new ATOM 0 HB2 MET A 15 -18.333 5.356 -14.662 1.00 0.00 H new ATOM 0 HB3 MET A 15 -18.039 6.712 -13.591 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.300 5.804 -11.854 1.00 0.00 H new ATOM 0 HG3 MET A 15 -20.442 5.035 -12.938 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.033 2.024 -10.946 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.339 3.679 -10.368 1.00 0.00 H new ATOM 0 HE3 MET A 15 -20.475 2.909 -11.501 1.00 0.00 H new ATOM 122 N ASP A 16 -20.575 9.049 -13.944 1.00 0.00 N ATOM 123 CA ASP A 16 -20.378 10.522 -13.822 1.00 0.00 C ATOM 124 C ASP A 16 -19.806 10.865 -12.444 1.00 0.00 C ATOM 125 O ASP A 16 -20.109 11.895 -11.874 1.00 0.00 O ATOM 126 CB ASP A 16 -21.775 11.122 -13.988 1.00 0.00 C ATOM 127 CG ASP A 16 -21.681 12.649 -13.959 1.00 0.00 C ATOM 128 OD1 ASP A 16 -21.317 13.221 -14.974 1.00 0.00 O ATOM 129 OD2 ASP A 16 -21.974 13.221 -12.922 1.00 0.00 O ATOM 0 H ASP A 16 -21.441 8.692 -13.540 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.678 10.909 -14.562 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.215 10.792 -14.929 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -22.430 10.772 -13.190 1.00 0.00 H new ATOM 134 N MET A 17 -18.981 10.011 -11.904 1.00 0.00 N ATOM 135 CA MET A 17 -18.390 10.288 -10.563 1.00 0.00 C ATOM 136 C MET A 17 -17.590 11.593 -10.597 1.00 0.00 C ATOM 137 O MET A 17 -17.516 12.313 -9.621 1.00 0.00 O ATOM 138 CB MET A 17 -17.467 9.102 -10.284 1.00 0.00 C ATOM 139 CG MET A 17 -16.404 9.012 -11.379 1.00 0.00 C ATOM 140 SD MET A 17 -15.900 7.286 -11.591 1.00 0.00 S ATOM 141 CE MET A 17 -15.119 7.077 -9.972 1.00 0.00 C ATOM 0 H MET A 17 -18.690 9.133 -12.333 1.00 0.00 H new ATOM 0 HA MET A 17 -19.152 10.402 -9.792 1.00 0.00 H new ATOM 0 HB2 MET A 17 -16.992 9.219 -9.310 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.045 8.179 -10.247 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.798 9.405 -12.316 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.542 9.624 -11.115 1.00 0.00 H new ATOM 0 HE1 MET A 17 -14.505 6.176 -9.978 1.00 0.00 H new ATOM 0 HE2 MET A 17 -14.492 7.942 -9.756 1.00 0.00 H new ATOM 0 HE3 MET A 17 -15.889 6.987 -9.206 1.00 0.00 H new ATOM 151 N SER A 18 -16.992 11.905 -11.715 1.00 0.00 N ATOM 152 CA SER A 18 -16.198 13.163 -11.809 1.00 0.00 C ATOM 153 C SER A 18 -16.400 13.813 -13.186 1.00 0.00 C ATOM 154 O SER A 18 -16.463 13.125 -14.186 1.00 0.00 O ATOM 155 CB SER A 18 -14.746 12.725 -11.631 1.00 0.00 C ATOM 156 OG SER A 18 -14.495 11.590 -12.449 1.00 0.00 O ATOM 0 H SER A 18 -17.019 11.344 -12.566 1.00 0.00 H new ATOM 0 HA SER A 18 -16.496 13.900 -11.063 1.00 0.00 H new ATOM 0 HB2 SER A 18 -14.073 13.539 -11.901 1.00 0.00 H new ATOM 0 HB3 SER A 18 -14.552 12.485 -10.586 1.00 0.00 H new ATOM 0 HG SER A 18 -14.053 10.895 -11.918 1.00 0.00 H new ATOM 162 N PRO A 19 -16.502 15.120 -13.196 1.00 0.00 N ATOM 163 CA PRO A 19 -16.707 15.850 -14.471 1.00 0.00 C ATOM 164 C PRO A 19 -15.411 15.903 -15.292 1.00 0.00 C ATOM 165 O PRO A 19 -14.898 16.963 -15.578 1.00 0.00 O ATOM 166 CB PRO A 19 -17.123 17.249 -14.022 1.00 0.00 C ATOM 167 CG PRO A 19 -16.550 17.408 -12.650 1.00 0.00 C ATOM 168 CD PRO A 19 -16.442 16.032 -12.044 1.00 0.00 C ATOM 0 HA PRO A 19 -17.446 15.373 -15.115 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.738 18.011 -14.700 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.208 17.352 -14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.571 17.885 -12.696 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.188 18.047 -12.039 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.510 15.913 -11.491 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.255 15.841 -11.343 1.00 0.00 H new ATOM 176 N LYS A 20 -14.900 14.763 -15.685 1.00 0.00 N ATOM 177 CA LYS A 20 -13.644 14.711 -16.512 1.00 0.00 C ATOM 178 C LYS A 20 -12.457 15.320 -15.757 1.00 0.00 C ATOM 179 O LYS A 20 -11.538 14.623 -15.372 1.00 0.00 O ATOM 180 CB LYS A 20 -13.908 15.518 -17.799 1.00 0.00 C ATOM 181 CG LYS A 20 -15.359 15.362 -18.271 1.00 0.00 C ATOM 182 CD LYS A 20 -16.117 16.659 -17.990 1.00 0.00 C ATOM 183 CE LYS A 20 -16.777 17.159 -19.277 1.00 0.00 C ATOM 184 NZ LYS A 20 -17.906 18.018 -18.823 1.00 0.00 N ATOM 0 H LYS A 20 -15.302 13.851 -15.467 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.393 13.675 -16.737 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -13.694 16.572 -17.620 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.230 15.184 -18.585 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.386 15.134 -19.337 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -15.835 14.528 -17.755 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.873 16.491 -17.223 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -15.433 17.415 -17.603 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.073 17.723 -19.888 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.133 16.328 -19.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.408 18.398 -19.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.564 17.452 -18.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.536 18.804 -18.251 1.00 0.00 H new ATOM 198 N ALA A 21 -12.460 16.616 -15.555 1.00 0.00 N ATOM 199 CA ALA A 21 -11.325 17.280 -14.836 1.00 0.00 C ATOM 200 C ALA A 21 -10.933 16.482 -13.589 1.00 0.00 C ATOM 201 O ALA A 21 -9.774 16.196 -13.360 1.00 0.00 O ATOM 202 CB ALA A 21 -11.860 18.657 -14.443 1.00 0.00 C ATOM 0 H ALA A 21 -13.203 17.246 -15.858 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.432 17.346 -15.457 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.086 19.209 -13.910 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.145 19.206 -15.340 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.731 18.539 -13.798 1.00 0.00 H new ATOM 208 N LEU A 22 -11.892 16.107 -12.793 1.00 0.00 N ATOM 209 CA LEU A 22 -11.580 15.312 -11.574 1.00 0.00 C ATOM 210 C LEU A 22 -11.396 13.850 -11.971 1.00 0.00 C ATOM 211 O LEU A 22 -10.644 13.116 -11.362 1.00 0.00 O ATOM 212 CB LEU A 22 -12.799 15.468 -10.662 1.00 0.00 C ATOM 213 CG LEU A 22 -12.831 16.882 -10.079 1.00 0.00 C ATOM 214 CD1 LEU A 22 -13.249 17.870 -11.167 1.00 0.00 C ATOM 215 CD2 LEU A 22 -13.845 16.935 -8.934 1.00 0.00 C ATOM 0 H LEU A 22 -12.880 16.317 -12.933 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.668 15.643 -11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.713 15.276 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.759 14.734 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.841 17.145 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -13.272 18.878 -10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.533 17.831 -11.988 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -14.240 17.606 -11.537 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -13.870 17.942 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -14.834 16.674 -9.311 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.554 16.227 -8.158 1.00 0.00 H new ATOM 227 N GLN A 23 -12.082 13.429 -12.997 1.00 0.00 N ATOM 228 CA GLN A 23 -11.957 12.014 -13.450 1.00 0.00 C ATOM 229 C GLN A 23 -10.495 11.691 -13.769 1.00 0.00 C ATOM 230 O GLN A 23 -9.971 10.672 -13.363 1.00 0.00 O ATOM 231 CB GLN A 23 -12.815 11.925 -14.712 1.00 0.00 C ATOM 232 CG GLN A 23 -13.130 10.458 -15.013 1.00 0.00 C ATOM 233 CD GLN A 23 -13.751 10.346 -16.407 1.00 0.00 C ATOM 234 OE1 GLN A 23 -13.047 10.248 -17.392 1.00 0.00 O ATOM 235 NE2 GLN A 23 -15.050 10.353 -16.532 1.00 0.00 N ATOM 0 H GLN A 23 -12.725 14.004 -13.542 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.280 11.305 -12.688 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -13.740 12.486 -14.576 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.290 12.375 -15.554 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -12.220 9.861 -14.960 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.816 10.061 -14.265 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.641 10.435 -15.705 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.474 10.276 -17.457 1.00 0.00 H new ATOM 244 N GLN A 24 -9.832 12.550 -14.493 1.00 0.00 N ATOM 245 CA GLN A 24 -8.403 12.291 -14.836 1.00 0.00 C ATOM 246 C GLN A 24 -7.517 12.520 -13.608 1.00 0.00 C ATOM 247 O GLN A 24 -6.575 11.794 -13.367 1.00 0.00 O ATOM 248 CB GLN A 24 -8.070 13.303 -15.934 1.00 0.00 C ATOM 249 CG GLN A 24 -6.988 12.726 -16.848 1.00 0.00 C ATOM 250 CD GLN A 24 -5.774 13.657 -16.853 1.00 0.00 C ATOM 251 OE1 GLN A 24 -5.894 14.828 -17.154 1.00 0.00 O ATOM 252 NE2 GLN A 24 -4.602 13.183 -16.530 1.00 0.00 N ATOM 0 H GLN A 24 -10.216 13.420 -14.862 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.235 11.265 -15.163 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.964 13.535 -16.513 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.726 14.237 -15.490 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -6.697 11.734 -16.503 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -7.376 12.611 -17.860 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.501 12.200 -16.277 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -3.786 13.796 -16.530 1.00 0.00 H new ATOM 261 N LYS A 25 -7.814 13.526 -12.830 1.00 0.00 N ATOM 262 CA LYS A 25 -6.989 13.801 -11.619 1.00 0.00 C ATOM 263 C LYS A 25 -7.116 12.646 -10.621 1.00 0.00 C ATOM 264 O LYS A 25 -6.134 12.141 -10.115 1.00 0.00 O ATOM 265 CB LYS A 25 -7.570 15.086 -11.028 1.00 0.00 C ATOM 266 CG LYS A 25 -6.627 16.255 -11.320 1.00 0.00 C ATOM 267 CD LYS A 25 -7.024 16.916 -12.641 1.00 0.00 C ATOM 268 CE LYS A 25 -5.766 17.372 -13.382 1.00 0.00 C ATOM 269 NZ LYS A 25 -5.921 18.845 -13.534 1.00 0.00 N ATOM 0 H LYS A 25 -8.592 14.169 -12.981 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.930 13.903 -11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.553 15.283 -11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.706 14.975 -9.952 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.672 16.983 -10.510 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.598 15.901 -11.374 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.587 16.214 -13.256 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.676 17.768 -12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.865 17.126 -12.819 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.680 16.882 -14.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.095 19.231 -14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.783 19.049 -14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.994 19.285 -12.595 1.00 0.00 H new ATOM 283 N ILE A 26 -8.318 12.225 -10.338 1.00 0.00 N ATOM 284 CA ILE A 26 -8.507 11.102 -9.374 1.00 0.00 C ATOM 285 C ILE A 26 -7.863 9.825 -9.922 1.00 0.00 C ATOM 286 O ILE A 26 -7.168 9.118 -9.220 1.00 0.00 O ATOM 287 CB ILE A 26 -10.022 10.932 -9.255 1.00 0.00 C ATOM 288 CG1 ILE A 26 -10.636 12.221 -8.705 1.00 0.00 C ATOM 289 CG2 ILE A 26 -10.334 9.774 -8.307 1.00 0.00 C ATOM 290 CD1 ILE A 26 -12.148 12.206 -8.937 1.00 0.00 C ATOM 0 H ILE A 26 -9.177 12.609 -10.732 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.044 11.303 -8.408 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.442 10.718 -10.238 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.422 12.313 -7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.191 13.087 -9.196 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -11.414 9.654 -8.223 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.896 8.856 -8.698 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.915 9.986 -7.323 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.585 13.124 -8.545 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.351 12.134 -10.005 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.586 11.349 -8.426 1.00 0.00 H new ATOM 302 N HIS A 27 -8.091 9.524 -11.170 1.00 0.00 N ATOM 303 CA HIS A 27 -7.494 8.293 -11.762 1.00 0.00 C ATOM 304 C HIS A 27 -5.971 8.434 -11.849 1.00 0.00 C ATOM 305 O HIS A 27 -5.251 7.458 -11.922 1.00 0.00 O ATOM 306 CB HIS A 27 -8.104 8.189 -13.160 1.00 0.00 C ATOM 307 CG HIS A 27 -7.824 6.826 -13.730 1.00 0.00 C ATOM 308 ND1 HIS A 27 -6.546 6.419 -14.078 1.00 0.00 N ATOM 309 CD2 HIS A 27 -8.648 5.766 -14.017 1.00 0.00 C ATOM 310 CE1 HIS A 27 -6.636 5.161 -14.550 1.00 0.00 C ATOM 311 NE2 HIS A 27 -7.895 4.716 -14.536 1.00 0.00 N ATOM 0 H HIS A 27 -8.665 10.077 -11.806 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.697 7.406 -11.163 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.179 8.361 -13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.686 8.959 -13.809 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.693 6.971 -13.992 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.717 5.749 -13.864 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.793 4.583 -14.897 1.00 0.00 H new ATOM 319 N GLU A 28 -5.476 9.642 -11.842 1.00 0.00 N ATOM 320 CA GLU A 28 -4.001 9.843 -11.924 1.00 0.00 C ATOM 321 C GLU A 28 -3.339 9.457 -10.599 1.00 0.00 C ATOM 322 O GLU A 28 -2.355 8.745 -10.570 1.00 0.00 O ATOM 323 CB GLU A 28 -3.821 11.338 -12.198 1.00 0.00 C ATOM 324 CG GLU A 28 -3.530 11.553 -13.684 1.00 0.00 C ATOM 325 CD GLU A 28 -2.056 11.922 -13.868 1.00 0.00 C ATOM 326 OE1 GLU A 28 -1.539 12.645 -13.033 1.00 0.00 O ATOM 327 OE2 GLU A 28 -1.471 11.474 -14.841 1.00 0.00 O ATOM 0 H GLU A 28 -6.028 10.497 -11.783 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.543 9.227 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.721 11.882 -11.910 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.003 11.733 -11.595 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.762 10.648 -14.245 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.166 12.345 -14.079 1.00 0.00 H new ATOM 334 N LEU A 29 -3.872 9.920 -9.501 1.00 0.00 N ATOM 335 CA LEU A 29 -3.273 9.577 -8.179 1.00 0.00 C ATOM 336 C LEU A 29 -3.544 8.108 -7.841 1.00 0.00 C ATOM 337 O LEU A 29 -2.688 7.410 -7.335 1.00 0.00 O ATOM 338 CB LEU A 29 -3.972 10.496 -7.178 1.00 0.00 C ATOM 339 CG LEU A 29 -3.385 11.905 -7.281 1.00 0.00 C ATOM 340 CD1 LEU A 29 -4.270 12.885 -6.509 1.00 0.00 C ATOM 341 CD2 LEU A 29 -1.975 11.914 -6.685 1.00 0.00 C ATOM 0 H LEU A 29 -4.696 10.520 -9.462 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.191 9.710 -8.168 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.043 10.521 -7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.846 10.111 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.340 12.204 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.851 13.889 -6.583 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.275 12.879 -6.932 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.315 12.587 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.556 12.917 -6.758 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.021 11.615 -5.638 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.343 11.216 -7.234 1.00 0.00 H new ATOM 353 N GLU A 30 -4.728 7.636 -8.118 1.00 0.00 N ATOM 354 CA GLU A 30 -5.053 6.212 -7.811 1.00 0.00 C ATOM 355 C GLU A 30 -4.033 5.284 -8.477 1.00 0.00 C ATOM 356 O GLU A 30 -3.506 4.381 -7.860 1.00 0.00 O ATOM 357 CB GLU A 30 -6.446 5.988 -8.399 1.00 0.00 C ATOM 358 CG GLU A 30 -7.150 4.868 -7.631 1.00 0.00 C ATOM 359 CD GLU A 30 -8.384 4.410 -8.411 1.00 0.00 C ATOM 360 OE1 GLU A 30 -9.416 5.045 -8.274 1.00 0.00 O ATOM 361 OE2 GLU A 30 -8.276 3.430 -9.131 1.00 0.00 O ATOM 0 H GLU A 30 -5.484 8.173 -8.543 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.024 6.002 -6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.030 6.907 -8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.369 5.727 -9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.469 4.030 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.442 5.219 -6.641 1.00 0.00 H new ATOM 368 N GLY A 31 -3.752 5.500 -9.734 1.00 0.00 N ATOM 369 CA GLY A 31 -2.767 4.630 -10.437 1.00 0.00 C ATOM 370 C GLY A 31 -1.423 4.690 -9.709 1.00 0.00 C ATOM 371 O GLY A 31 -0.619 3.784 -9.794 1.00 0.00 O ATOM 0 H GLY A 31 -4.162 6.241 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.130 3.603 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.648 4.958 -11.470 1.00 0.00 H new ATOM 375 N LEU A 32 -1.174 5.752 -8.991 1.00 0.00 N ATOM 376 CA LEU A 32 0.119 5.870 -8.257 1.00 0.00 C ATOM 377 C LEU A 32 0.145 4.896 -7.076 1.00 0.00 C ATOM 378 O LEU A 32 1.170 4.334 -6.744 1.00 0.00 O ATOM 379 CB LEU A 32 0.163 7.316 -7.765 1.00 0.00 C ATOM 380 CG LEU A 32 1.617 7.769 -7.636 1.00 0.00 C ATOM 381 CD1 LEU A 32 2.254 7.844 -9.025 1.00 0.00 C ATOM 382 CD2 LEU A 32 1.664 9.151 -6.980 1.00 0.00 C ATOM 0 H LEU A 32 -1.809 6.542 -8.881 1.00 0.00 H new ATOM 0 HA LEU A 32 0.977 5.629 -8.885 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.370 7.964 -8.461 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.341 7.399 -6.802 1.00 0.00 H new ATOM 0 HG LEU A 32 2.166 7.055 -7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.291 8.167 -8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.221 6.861 -9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.705 8.558 -9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.701 9.475 -6.888 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.114 9.864 -7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.210 9.100 -5.990 1.00 0.00 H new ATOM 394 N MET A 33 -0.975 4.693 -6.436 1.00 0.00 N ATOM 395 CA MET A 33 -1.014 3.756 -5.276 1.00 0.00 C ATOM 396 C MET A 33 -0.681 2.331 -5.730 1.00 0.00 C ATOM 397 O MET A 33 0.170 1.673 -5.166 1.00 0.00 O ATOM 398 CB MET A 33 -2.451 3.825 -4.760 1.00 0.00 C ATOM 399 CG MET A 33 -2.520 4.758 -3.548 1.00 0.00 C ATOM 400 SD MET A 33 -4.181 5.469 -3.427 1.00 0.00 S ATOM 401 CE MET A 33 -5.090 3.913 -3.256 1.00 0.00 C ATOM 0 H MET A 33 -1.865 5.135 -6.666 1.00 0.00 H new ATOM 0 HA MET A 33 -0.288 4.024 -4.508 1.00 0.00 H new ATOM 0 HB2 MET A 33 -3.113 4.186 -5.547 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.797 2.829 -4.484 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.281 4.208 -2.638 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.779 5.552 -3.644 1.00 0.00 H new ATOM 0 HE1 MET A 33 -6.012 3.965 -3.835 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.476 3.091 -3.624 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.330 3.745 -2.206 1.00 0.00 H new ATOM 411 N MET A 34 -1.350 1.851 -6.743 1.00 0.00 N ATOM 412 CA MET A 34 -1.081 0.466 -7.234 1.00 0.00 C ATOM 413 C MET A 34 0.420 0.250 -7.449 1.00 0.00 C ATOM 414 O MET A 34 0.993 -0.710 -6.972 1.00 0.00 O ATOM 415 CB MET A 34 -1.831 0.367 -8.562 1.00 0.00 C ATOM 416 CG MET A 34 -3.313 0.674 -8.336 1.00 0.00 C ATOM 417 SD MET A 34 -4.324 -0.542 -9.216 1.00 0.00 S ATOM 418 CE MET A 34 -4.212 -1.863 -7.985 1.00 0.00 C ATOM 0 H MET A 34 -2.073 2.358 -7.254 1.00 0.00 H new ATOM 0 HA MET A 34 -1.405 -0.291 -6.520 1.00 0.00 H new ATOM 0 HB2 MET A 34 -1.409 1.068 -9.283 1.00 0.00 H new ATOM 0 HB3 MET A 34 -1.716 -0.632 -8.983 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.542 0.650 -7.271 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.545 1.679 -8.689 1.00 0.00 H new ATOM 0 HE1 MET A 34 -4.985 -2.607 -8.178 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.231 -2.335 -8.046 1.00 0.00 H new ATOM 0 HE3 MET A 34 -4.352 -1.444 -6.988 1.00 0.00 H new ATOM 428 N GLN A 35 1.062 1.132 -8.166 1.00 0.00 N ATOM 429 CA GLN A 35 2.528 0.975 -8.415 1.00 0.00 C ATOM 430 C GLN A 35 3.270 0.697 -7.102 1.00 0.00 C ATOM 431 O GLN A 35 3.626 -0.427 -6.804 1.00 0.00 O ATOM 432 CB GLN A 35 2.968 2.314 -9.015 1.00 0.00 C ATOM 433 CG GLN A 35 4.491 2.339 -9.167 1.00 0.00 C ATOM 434 CD GLN A 35 4.855 2.474 -10.647 1.00 0.00 C ATOM 435 OE1 GLN A 35 5.458 1.587 -11.219 1.00 0.00 O ATOM 436 NE2 GLN A 35 4.512 3.553 -11.294 1.00 0.00 N ATOM 0 H GLN A 35 0.636 1.956 -8.591 1.00 0.00 H new ATOM 0 HA GLN A 35 2.748 0.138 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 35 2.494 2.461 -9.985 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.644 3.134 -8.374 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.910 3.171 -8.601 1.00 0.00 H new ATOM 0 HG3 GLN A 35 4.923 1.426 -8.757 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.006 4.297 -10.813 1.00 0.00 H new ATOM 0 HE22 GLN A 35 4.750 3.653 -12.281 1.00 0.00 H new ATOM 445 N HIS A 36 3.506 1.712 -6.317 1.00 0.00 N ATOM 446 CA HIS A 36 4.226 1.515 -5.025 1.00 0.00 C ATOM 447 C HIS A 36 3.588 0.374 -4.222 1.00 0.00 C ATOM 448 O HIS A 36 4.252 -0.563 -3.825 1.00 0.00 O ATOM 449 CB HIS A 36 4.068 2.844 -4.292 1.00 0.00 C ATOM 450 CG HIS A 36 4.757 3.931 -5.071 1.00 0.00 C ATOM 451 ND1 HIS A 36 6.063 3.806 -5.517 1.00 0.00 N ATOM 452 CD2 HIS A 36 4.333 5.167 -5.491 1.00 0.00 C ATOM 453 CE1 HIS A 36 6.377 4.938 -6.173 1.00 0.00 C ATOM 454 NE2 HIS A 36 5.359 5.802 -6.187 1.00 0.00 N ATOM 0 H HIS A 36 3.230 2.674 -6.515 1.00 0.00 H new ATOM 0 HA HIS A 36 5.272 1.244 -5.169 1.00 0.00 H new ATOM 0 HB2 HIS A 36 3.011 3.082 -4.172 1.00 0.00 H new ATOM 0 HB3 HIS A 36 4.494 2.773 -3.291 1.00 0.00 H new ATOM 0 HD2 HIS A 36 3.353 5.584 -5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.336 5.125 -6.633 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.337 6.728 -6.615 1.00 0.00 H new ATOM 462 N ALA A 37 2.303 0.449 -3.981 1.00 0.00 N ATOM 463 CA ALA A 37 1.608 -0.626 -3.206 1.00 0.00 C ATOM 464 C ALA A 37 2.019 -2.009 -3.729 1.00 0.00 C ATOM 465 O ALA A 37 2.124 -2.960 -2.981 1.00 0.00 O ATOM 466 CB ALA A 37 0.118 -0.380 -3.453 1.00 0.00 C ATOM 0 H ALA A 37 1.702 1.213 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 37 1.859 -0.603 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.468 -1.128 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.151 0.614 -3.096 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.090 -0.451 -4.521 1.00 0.00 H new ATOM 472 N GLN A 38 2.267 -2.118 -5.007 1.00 0.00 N ATOM 473 CA GLN A 38 2.687 -3.431 -5.576 1.00 0.00 C ATOM 474 C GLN A 38 4.178 -3.649 -5.310 1.00 0.00 C ATOM 475 O GLN A 38 4.626 -4.756 -5.091 1.00 0.00 O ATOM 476 CB GLN A 38 2.418 -3.321 -7.077 1.00 0.00 C ATOM 477 CG GLN A 38 1.038 -3.900 -7.392 1.00 0.00 C ATOM 478 CD GLN A 38 0.568 -3.389 -8.755 1.00 0.00 C ATOM 479 OE1 GLN A 38 -0.533 -2.891 -8.884 1.00 0.00 O ATOM 480 NE2 GLN A 38 1.361 -3.490 -9.786 1.00 0.00 N ATOM 0 H GLN A 38 2.197 -1.355 -5.681 1.00 0.00 H new ATOM 0 HA GLN A 38 2.151 -4.271 -5.134 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.467 -2.278 -7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.185 -3.858 -7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.081 -4.989 -7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 38 0.326 -3.612 -6.619 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.285 -3.908 -9.679 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.057 -3.151 -10.699 1.00 0.00 H new ATOM 489 N ASN A 39 4.945 -2.592 -5.315 1.00 0.00 N ATOM 490 CA ASN A 39 6.406 -2.726 -5.049 1.00 0.00 C ATOM 491 C ASN A 39 6.685 -2.477 -3.565 1.00 0.00 C ATOM 492 O ASN A 39 7.771 -2.095 -3.180 1.00 0.00 O ATOM 493 CB ASN A 39 7.067 -1.649 -5.910 1.00 0.00 C ATOM 494 CG ASN A 39 7.095 -2.106 -7.369 1.00 0.00 C ATOM 495 OD1 ASN A 39 6.585 -3.158 -7.698 1.00 0.00 O ATOM 496 ND2 ASN A 39 7.672 -1.353 -8.265 1.00 0.00 N ATOM 0 H ASN A 39 4.622 -1.641 -5.492 1.00 0.00 H new ATOM 0 HA ASN A 39 6.785 -3.720 -5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 39 6.518 -0.711 -5.822 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.081 -1.459 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 39 7.695 -1.648 -9.241 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.100 -0.469 -7.989 1.00 0.00 H new ATOM 503 N LEU A 40 5.702 -2.692 -2.732 1.00 0.00 N ATOM 504 CA LEU A 40 5.886 -2.474 -1.269 1.00 0.00 C ATOM 505 C LEU A 40 6.376 -1.051 -0.991 1.00 0.00 C ATOM 506 O LEU A 40 7.213 -0.827 -0.139 1.00 0.00 O ATOM 507 CB LEU A 40 6.933 -3.503 -0.837 1.00 0.00 C ATOM 508 CG LEU A 40 6.266 -4.868 -0.660 1.00 0.00 C ATOM 509 CD1 LEU A 40 6.494 -5.715 -1.913 1.00 0.00 C ATOM 510 CD2 LEU A 40 6.873 -5.578 0.551 1.00 0.00 C ATOM 0 H LEU A 40 4.773 -3.012 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 40 4.952 -2.592 -0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.724 -3.567 -1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.401 -3.191 0.097 1.00 0.00 H new ATOM 0 HG LEU A 40 5.196 -4.731 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.018 -6.688 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.062 -5.210 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.564 -5.852 -2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.398 -6.551 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.943 -5.714 0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.711 -4.976 1.445 1.00 0.00 H new ATOM 522 N GLU A 41 5.848 -0.086 -1.690 1.00 0.00 N ATOM 523 CA GLU A 41 6.268 1.326 -1.455 1.00 0.00 C ATOM 524 C GLU A 41 5.056 2.165 -1.033 1.00 0.00 C ATOM 525 O GLU A 41 5.077 3.378 -1.099 1.00 0.00 O ATOM 526 CB GLU A 41 6.817 1.807 -2.799 1.00 0.00 C ATOM 527 CG GLU A 41 8.343 1.678 -2.803 1.00 0.00 C ATOM 528 CD GLU A 41 8.955 2.816 -1.984 1.00 0.00 C ATOM 529 OE1 GLU A 41 8.287 3.823 -1.815 1.00 0.00 O ATOM 530 OE2 GLU A 41 10.080 2.661 -1.540 1.00 0.00 O ATOM 0 H GLU A 41 5.142 -0.213 -2.416 1.00 0.00 H new ATOM 0 HA GLU A 41 7.011 1.414 -0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.389 1.218 -3.610 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.529 2.844 -2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.638 0.716 -2.385 1.00 0.00 H new ATOM 0 HG3 GLU A 41 8.718 1.710 -3.826 1.00 0.00 H new ATOM 537 N PHE A 42 3.998 1.522 -0.612 1.00 0.00 N ATOM 538 CA PHE A 42 2.771 2.259 -0.195 1.00 0.00 C ATOM 539 C PHE A 42 3.046 3.215 0.970 1.00 0.00 C ATOM 540 O PHE A 42 2.207 4.021 1.308 1.00 0.00 O ATOM 541 CB PHE A 42 1.769 1.179 0.225 1.00 0.00 C ATOM 542 CG PHE A 42 2.390 0.249 1.243 1.00 0.00 C ATOM 543 CD1 PHE A 42 2.717 0.723 2.534 1.00 0.00 C ATOM 544 CD2 PHE A 42 2.635 -1.102 0.907 1.00 0.00 C ATOM 545 CE1 PHE A 42 3.284 -0.152 3.485 1.00 0.00 C ATOM 546 CE2 PHE A 42 3.202 -1.974 1.857 1.00 0.00 C ATOM 547 CZ PHE A 42 3.525 -1.500 3.146 1.00 0.00 C ATOM 0 H PHE A 42 3.933 0.507 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 42 2.395 2.879 -1.009 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.878 1.645 0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.450 0.611 -0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.533 1.755 2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.387 -1.466 -0.079 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.533 0.210 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.390 -3.006 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.957 -2.170 3.874 1.00 0.00 H new ATOM 557 N GLU A 43 4.198 3.155 1.591 1.00 0.00 N ATOM 558 CA GLU A 43 4.470 4.097 2.721 1.00 0.00 C ATOM 559 C GLU A 43 4.154 5.526 2.271 1.00 0.00 C ATOM 560 O GLU A 43 3.226 6.152 2.743 1.00 0.00 O ATOM 561 CB GLU A 43 5.961 3.941 3.022 1.00 0.00 C ATOM 562 CG GLU A 43 6.374 4.953 4.092 1.00 0.00 C ATOM 563 CD GLU A 43 7.900 5.056 4.138 1.00 0.00 C ATOM 564 OE1 GLU A 43 8.534 4.042 4.380 1.00 0.00 O ATOM 565 OE2 GLU A 43 8.408 6.145 3.930 1.00 0.00 O ATOM 0 H GLU A 43 4.952 2.505 1.369 1.00 0.00 H new ATOM 0 HA GLU A 43 3.863 3.889 3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.170 2.928 3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.544 4.097 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.940 5.928 3.872 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.990 4.646 5.065 1.00 0.00 H new ATOM 572 N GLU A 44 4.905 6.028 1.334 1.00 0.00 N ATOM 573 CA GLU A 44 4.642 7.397 0.809 1.00 0.00 C ATOM 574 C GLU A 44 3.520 7.347 -0.238 1.00 0.00 C ATOM 575 O GLU A 44 2.928 8.350 -0.579 1.00 0.00 O ATOM 576 CB GLU A 44 5.958 7.837 0.168 1.00 0.00 C ATOM 577 CG GLU A 44 6.313 6.886 -0.977 1.00 0.00 C ATOM 578 CD GLU A 44 6.105 7.599 -2.314 1.00 0.00 C ATOM 579 OE1 GLU A 44 5.005 8.071 -2.548 1.00 0.00 O ATOM 580 OE2 GLU A 44 7.051 7.662 -3.082 1.00 0.00 O ATOM 0 H GLU A 44 5.696 5.547 0.905 1.00 0.00 H new ATOM 0 HA GLU A 44 4.322 8.088 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.869 8.857 -0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.754 7.840 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.349 6.559 -0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.691 5.993 -0.928 1.00 0.00 H new ATOM 587 N ALA A 45 3.248 6.186 -0.774 1.00 0.00 N ATOM 588 CA ALA A 45 2.189 6.059 -1.822 1.00 0.00 C ATOM 589 C ALA A 45 0.781 5.995 -1.215 1.00 0.00 C ATOM 590 O ALA A 45 -0.137 6.634 -1.689 1.00 0.00 O ATOM 591 CB ALA A 45 2.515 4.742 -2.529 1.00 0.00 C ATOM 0 H ALA A 45 3.717 5.314 -0.530 1.00 0.00 H new ATOM 0 HA ALA A 45 2.185 6.920 -2.490 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.786 4.563 -3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.514 4.799 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.478 3.924 -1.810 1.00 0.00 H new ATOM 597 N ALA A 46 0.594 5.203 -0.197 1.00 0.00 N ATOM 598 CA ALA A 46 -0.762 5.066 0.411 1.00 0.00 C ATOM 599 C ALA A 46 -1.348 6.423 0.806 1.00 0.00 C ATOM 600 O ALA A 46 -2.532 6.650 0.656 1.00 0.00 O ATOM 601 CB ALA A 46 -0.567 4.181 1.642 1.00 0.00 C ATOM 0 H ALA A 46 1.323 4.642 0.243 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.468 4.634 -0.298 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.525 4.036 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.168 3.214 1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.131 4.661 2.328 1.00 0.00 H new ATOM 607 N GLN A 47 -0.551 7.334 1.308 1.00 0.00 N ATOM 608 CA GLN A 47 -1.117 8.663 1.698 1.00 0.00 C ATOM 609 C GLN A 47 -1.922 9.245 0.535 1.00 0.00 C ATOM 610 O GLN A 47 -2.822 10.040 0.724 1.00 0.00 O ATOM 611 CB GLN A 47 0.080 9.555 2.022 1.00 0.00 C ATOM 612 CG GLN A 47 1.046 9.577 0.840 1.00 0.00 C ATOM 613 CD GLN A 47 1.138 10.998 0.280 1.00 0.00 C ATOM 614 OE1 GLN A 47 2.094 11.702 0.534 1.00 0.00 O ATOM 615 NE2 GLN A 47 0.177 11.452 -0.477 1.00 0.00 N ATOM 0 H GLN A 47 0.451 7.219 1.463 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.789 8.582 2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.259 10.567 2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.589 9.186 2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.032 9.235 1.156 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.704 8.891 0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.626 10.861 -0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.229 12.398 -0.855 1.00 0.00 H new ATOM 624 N ILE A 48 -1.618 8.837 -0.669 1.00 0.00 N ATOM 625 CA ILE A 48 -2.380 9.349 -1.839 1.00 0.00 C ATOM 626 C ILE A 48 -3.869 9.078 -1.627 1.00 0.00 C ATOM 627 O ILE A 48 -4.717 9.824 -2.073 1.00 0.00 O ATOM 628 CB ILE A 48 -1.849 8.561 -3.037 1.00 0.00 C ATOM 629 CG1 ILE A 48 -0.382 8.926 -3.276 1.00 0.00 C ATOM 630 CG2 ILE A 48 -2.668 8.905 -4.283 1.00 0.00 C ATOM 631 CD1 ILE A 48 -0.267 10.424 -3.562 1.00 0.00 C ATOM 0 H ILE A 48 -0.876 8.173 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.261 10.422 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.932 7.493 -2.833 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.215 8.665 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.014 8.354 -4.115 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.288 8.342 -5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.713 8.646 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.587 9.973 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.778 10.683 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.851 10.671 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.646 10.987 -2.709 1.00 0.00 H new ATOM 643 N ARG A 49 -4.192 8.018 -0.930 1.00 0.00 N ATOM 644 CA ARG A 49 -5.630 7.710 -0.673 1.00 0.00 C ATOM 645 C ARG A 49 -6.317 8.944 -0.086 1.00 0.00 C ATOM 646 O ARG A 49 -7.497 9.164 -0.276 1.00 0.00 O ATOM 647 CB ARG A 49 -5.629 6.559 0.337 1.00 0.00 C ATOM 648 CG ARG A 49 -4.983 7.015 1.648 1.00 0.00 C ATOM 649 CD ARG A 49 -6.067 7.514 2.606 1.00 0.00 C ATOM 650 NE ARG A 49 -5.403 8.565 3.424 1.00 0.00 N ATOM 651 CZ ARG A 49 -5.731 8.720 4.677 1.00 0.00 C ATOM 652 NH1 ARG A 49 -6.953 8.482 5.067 1.00 0.00 N ATOM 653 NH2 ARG A 49 -4.835 9.112 5.541 1.00 0.00 N ATOM 0 H ARG A 49 -3.526 7.357 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.167 7.437 -1.582 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.650 6.225 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.084 5.707 -0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.434 6.190 2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.262 7.809 1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.920 7.918 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.443 6.705 3.232 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.692 9.164 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.653 8.174 4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.208 8.604 6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.879 9.297 5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.090 9.234 6.521 1.00 0.00 H new ATOM 667 N ASP A 50 -5.574 9.764 0.609 1.00 0.00 N ATOM 668 CA ASP A 50 -6.169 10.997 1.188 1.00 0.00 C ATOM 669 C ASP A 50 -6.539 11.947 0.052 1.00 0.00 C ATOM 670 O ASP A 50 -7.613 12.517 0.026 1.00 0.00 O ATOM 671 CB ASP A 50 -5.071 11.600 2.064 1.00 0.00 C ATOM 672 CG ASP A 50 -5.648 11.955 3.435 1.00 0.00 C ATOM 673 OD1 ASP A 50 -6.669 12.620 3.471 1.00 0.00 O ATOM 674 OD2 ASP A 50 -5.058 11.556 4.425 1.00 0.00 O ATOM 0 H ASP A 50 -4.581 9.631 0.799 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.073 10.804 1.766 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.250 10.891 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.660 12.491 1.589 1.00 0.00 H new ATOM 679 N GLN A 51 -5.661 12.107 -0.902 1.00 0.00 N ATOM 680 CA GLN A 51 -5.969 13.004 -2.051 1.00 0.00 C ATOM 681 C GLN A 51 -7.092 12.389 -2.888 1.00 0.00 C ATOM 682 O GLN A 51 -7.892 13.083 -3.485 1.00 0.00 O ATOM 683 CB GLN A 51 -4.674 13.077 -2.860 1.00 0.00 C ATOM 684 CG GLN A 51 -3.600 13.800 -2.044 1.00 0.00 C ATOM 685 CD GLN A 51 -2.347 13.984 -2.901 1.00 0.00 C ATOM 686 OE1 GLN A 51 -1.248 13.721 -2.455 1.00 0.00 O ATOM 687 NE2 GLN A 51 -2.466 14.428 -4.123 1.00 0.00 N ATOM 0 H GLN A 51 -4.747 11.656 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 51 -6.300 13.993 -1.735 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.336 12.073 -3.116 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.848 13.604 -3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.972 14.769 -1.711 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.360 13.226 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.389 14.649 -4.498 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.636 14.554 -4.703 1.00 0.00 H new ATOM 696 N LEU A 52 -7.160 11.084 -2.928 1.00 0.00 N ATOM 697 CA LEU A 52 -8.231 10.412 -3.717 1.00 0.00 C ATOM 698 C LEU A 52 -9.593 10.666 -3.066 1.00 0.00 C ATOM 699 O LEU A 52 -10.569 10.952 -3.731 1.00 0.00 O ATOM 700 CB LEU A 52 -7.883 8.923 -3.664 1.00 0.00 C ATOM 701 CG LEU A 52 -7.312 8.477 -5.013 1.00 0.00 C ATOM 702 CD1 LEU A 52 -8.364 8.681 -6.105 1.00 0.00 C ATOM 703 CD2 LEU A 52 -6.069 9.307 -5.340 1.00 0.00 C ATOM 0 H LEU A 52 -6.518 10.454 -2.447 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.289 10.781 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.157 8.737 -2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.772 8.340 -3.424 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.041 7.422 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.958 8.364 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.249 8.090 -5.872 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.635 9.735 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.662 8.990 -6.300 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.339 10.362 -5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.319 9.161 -4.562 1.00 0.00 H new ATOM 715 N HIS A 53 -9.663 10.565 -1.766 1.00 0.00 N ATOM 716 CA HIS A 53 -10.958 10.801 -1.065 1.00 0.00 C ATOM 717 C HIS A 53 -11.227 12.305 -0.952 1.00 0.00 C ATOM 718 O HIS A 53 -12.355 12.751 -1.024 1.00 0.00 O ATOM 719 CB HIS A 53 -10.774 10.183 0.321 1.00 0.00 C ATOM 720 CG HIS A 53 -12.120 9.963 0.956 1.00 0.00 C ATOM 721 ND1 HIS A 53 -13.071 10.968 1.040 1.00 0.00 N ATOM 722 CD2 HIS A 53 -12.687 8.860 1.543 1.00 0.00 C ATOM 723 CE1 HIS A 53 -14.150 10.453 1.658 1.00 0.00 C ATOM 724 NE2 HIS A 53 -13.969 9.172 1.986 1.00 0.00 N ATOM 0 H HIS A 53 -8.878 10.329 -1.158 1.00 0.00 H new ATOM 0 HA HIS A 53 -11.804 10.365 -1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.239 9.237 0.241 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.168 10.839 0.946 1.00 0.00 H new ATOM 0 HD1 HIS A 53 -12.971 11.923 0.696 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -12.211 7.896 1.646 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -15.053 11.009 1.864 1.00 0.00 H new ATOM 732 N GLN A 54 -10.198 13.088 -0.776 1.00 0.00 N ATOM 733 CA GLN A 54 -10.394 14.562 -0.659 1.00 0.00 C ATOM 734 C GLN A 54 -10.941 15.124 -1.973 1.00 0.00 C ATOM 735 O GLN A 54 -11.813 15.970 -1.983 1.00 0.00 O ATOM 736 CB GLN A 54 -9.004 15.127 -0.369 1.00 0.00 C ATOM 737 CG GLN A 54 -9.078 16.652 -0.287 1.00 0.00 C ATOM 738 CD GLN A 54 -7.663 17.234 -0.277 1.00 0.00 C ATOM 739 OE1 GLN A 54 -6.952 17.112 0.700 1.00 0.00 O ATOM 740 NE2 GLN A 54 -7.222 17.865 -1.330 1.00 0.00 N ATOM 0 H GLN A 54 -9.231 12.772 -0.708 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.108 14.824 0.122 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.623 14.720 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.308 14.828 -1.153 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.638 17.045 -1.135 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.612 16.952 0.614 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.819 17.967 -2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.280 18.256 -1.333 1.00 0.00 H new ATOM 749 N LEU A 55 -10.437 14.659 -3.083 1.00 0.00 N ATOM 750 CA LEU A 55 -10.932 15.167 -4.395 1.00 0.00 C ATOM 751 C LEU A 55 -12.407 14.795 -4.581 1.00 0.00 C ATOM 752 O LEU A 55 -13.110 15.384 -5.377 1.00 0.00 O ATOM 753 CB LEU A 55 -10.065 14.466 -5.442 1.00 0.00 C ATOM 754 CG LEU A 55 -8.996 15.434 -5.951 1.00 0.00 C ATOM 755 CD1 LEU A 55 -7.857 15.521 -4.933 1.00 0.00 C ATOM 756 CD2 LEU A 55 -8.447 14.929 -7.287 1.00 0.00 C ATOM 0 H LEU A 55 -9.705 13.951 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.866 16.252 -4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.595 13.584 -5.008 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.684 14.122 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 55 -9.437 16.422 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.096 16.211 -5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.247 15.880 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.416 14.534 -4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.685 15.618 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.007 13.941 -7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.257 14.868 -8.013 1.00 0.00 H new ATOM 768 N ARG A 56 -12.879 13.818 -3.854 1.00 0.00 N ATOM 769 CA ARG A 56 -14.306 13.406 -3.989 1.00 0.00 C ATOM 770 C ARG A 56 -15.234 14.598 -3.734 1.00 0.00 C ATOM 771 O ARG A 56 -16.011 14.983 -4.583 1.00 0.00 O ATOM 772 CB ARG A 56 -14.510 12.330 -2.922 1.00 0.00 C ATOM 773 CG ARG A 56 -15.877 11.671 -3.115 1.00 0.00 C ATOM 774 CD ARG A 56 -16.421 11.215 -1.759 1.00 0.00 C ATOM 775 NE ARG A 56 -16.956 9.847 -2.001 1.00 0.00 N ATOM 776 CZ ARG A 56 -17.057 9.002 -1.011 1.00 0.00 C ATOM 777 NH1 ARG A 56 -18.230 8.721 -0.510 1.00 0.00 N ATOM 778 NH2 ARG A 56 -15.987 8.438 -0.521 1.00 0.00 N ATOM 0 H ARG A 56 -12.337 13.287 -3.172 1.00 0.00 H new ATOM 0 HA ARG A 56 -14.534 13.039 -4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -13.721 11.581 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.445 12.772 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -16.569 12.374 -3.578 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -15.790 10.819 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -15.637 11.204 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -17.201 11.886 -1.400 1.00 0.00 H new ATOM 0 HE ARG A 56 -17.243 9.570 -2.940 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -19.067 9.162 -0.892 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -18.309 8.061 0.263 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -15.071 8.657 -0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -16.067 7.778 0.253 1.00 0.00 H new ATOM 792 N GLU A 57 -15.162 15.182 -2.568 1.00 0.00 N ATOM 793 CA GLU A 57 -16.046 16.345 -2.265 1.00 0.00 C ATOM 794 C GLU A 57 -15.777 17.486 -3.251 1.00 0.00 C ATOM 795 O GLU A 57 -16.618 18.333 -3.480 1.00 0.00 O ATOM 796 CB GLU A 57 -15.682 16.764 -0.839 1.00 0.00 C ATOM 797 CG GLU A 57 -14.231 17.248 -0.795 1.00 0.00 C ATOM 798 CD GLU A 57 -13.512 16.607 0.395 1.00 0.00 C ATOM 799 OE1 GLU A 57 -14.195 16.149 1.298 1.00 0.00 O ATOM 800 OE2 GLU A 57 -12.293 16.585 0.384 1.00 0.00 O ATOM 0 H GLU A 57 -14.532 14.906 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.103 16.094 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.350 17.557 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.815 15.923 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.722 16.988 -1.723 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -14.202 18.334 -0.709 1.00 0.00 H new ATOM 807 N LEU A 58 -14.611 17.514 -3.835 1.00 0.00 N ATOM 808 CA LEU A 58 -14.287 18.599 -4.806 1.00 0.00 C ATOM 809 C LEU A 58 -15.283 18.583 -5.970 1.00 0.00 C ATOM 810 O LEU A 58 -15.443 19.559 -6.675 1.00 0.00 O ATOM 811 CB LEU A 58 -12.877 18.279 -5.301 1.00 0.00 C ATOM 812 CG LEU A 58 -12.127 19.582 -5.578 1.00 0.00 C ATOM 813 CD1 LEU A 58 -10.681 19.452 -5.094 1.00 0.00 C ATOM 814 CD2 LEU A 58 -12.135 19.864 -7.083 1.00 0.00 C ATOM 0 H LEU A 58 -13.868 16.833 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 58 -14.345 19.589 -4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.343 17.691 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.926 17.675 -6.207 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.615 20.401 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.146 20.381 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.673 19.249 -4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.193 18.633 -5.622 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.601 20.793 -7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -11.646 19.044 -7.609 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.164 19.956 -7.430 1.00 0.00 H new ATOM 826 N PHE A 59 -15.954 17.481 -6.178 1.00 0.00 N ATOM 827 CA PHE A 59 -16.938 17.403 -7.297 1.00 0.00 C ATOM 828 C PHE A 59 -17.904 18.590 -7.242 1.00 0.00 C ATOM 829 O PHE A 59 -18.171 19.232 -8.239 1.00 0.00 O ATOM 830 CB PHE A 59 -17.688 16.091 -7.073 1.00 0.00 C ATOM 831 CG PHE A 59 -18.738 15.921 -8.145 1.00 0.00 C ATOM 832 CD1 PHE A 59 -19.980 16.584 -8.030 1.00 0.00 C ATOM 833 CD2 PHE A 59 -18.478 15.097 -9.263 1.00 0.00 C ATOM 834 CE1 PHE A 59 -20.962 16.426 -9.033 1.00 0.00 C ATOM 835 CE2 PHE A 59 -19.460 14.939 -10.267 1.00 0.00 C ATOM 836 CZ PHE A 59 -20.702 15.603 -10.151 1.00 0.00 C ATOM 0 H PHE A 59 -15.863 16.631 -5.621 1.00 0.00 H new ATOM 0 HA PHE A 59 -16.454 17.436 -8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.991 15.253 -7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -18.155 16.091 -6.088 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -20.179 17.212 -7.174 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -17.529 14.588 -9.350 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -21.911 16.934 -8.945 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -19.261 14.311 -11.123 1.00 0.00 H new ATOM 0 HZ PHE A 59 -21.453 15.481 -10.918 1.00 0.00 H new ATOM 846 N ILE A 60 -18.428 18.887 -6.086 1.00 0.00 N ATOM 847 CA ILE A 60 -19.376 20.033 -5.968 1.00 0.00 C ATOM 848 C ILE A 60 -18.679 21.335 -6.373 1.00 0.00 C ATOM 849 O ILE A 60 -19.255 22.178 -7.032 1.00 0.00 O ATOM 850 CB ILE A 60 -19.771 20.072 -4.492 1.00 0.00 C ATOM 851 CG1 ILE A 60 -20.501 18.776 -4.127 1.00 0.00 C ATOM 852 CG2 ILE A 60 -20.695 21.264 -4.242 1.00 0.00 C ATOM 853 CD1 ILE A 60 -20.009 18.279 -2.767 1.00 0.00 C ATOM 0 H ILE A 60 -18.242 18.387 -5.217 1.00 0.00 H new ATOM 0 HA ILE A 60 -20.244 19.921 -6.617 1.00 0.00 H new ATOM 0 HB ILE A 60 -18.876 20.172 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -21.577 18.949 -4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -20.322 18.018 -4.890 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -20.977 21.292 -3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -20.177 22.187 -4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -21.591 21.165 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -20.528 17.357 -2.507 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -18.937 18.090 -2.815 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -20.211 19.035 -2.008 1.00 0.00 H new ATOM 865 N ALA A 61 -17.445 21.503 -5.985 1.00 0.00 N ATOM 866 CA ALA A 61 -16.712 22.750 -6.349 1.00 0.00 C ATOM 867 C ALA A 61 -16.518 22.824 -7.866 1.00 0.00 C ATOM 868 O ALA A 61 -16.309 23.883 -8.423 1.00 0.00 O ATOM 869 CB ALA A 61 -15.364 22.638 -5.640 1.00 0.00 C ATOM 0 H ALA A 61 -16.912 20.832 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 61 -17.253 23.649 -6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -14.763 23.521 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -15.524 22.565 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.841 21.748 -5.990 1.00 0.00 H new ATOM 875 N ALA A 62 -16.585 21.707 -8.538 1.00 0.00 N ATOM 876 CA ALA A 62 -16.403 21.715 -10.018 1.00 0.00 C ATOM 877 C ALA A 62 -17.765 21.739 -10.718 1.00 0.00 C ATOM 878 O ALA A 62 -18.109 22.687 -11.395 1.00 0.00 O ATOM 879 CB ALA A 62 -15.660 20.416 -10.333 1.00 0.00 C ATOM 0 H ALA A 62 -16.758 20.790 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 62 -15.854 22.592 -10.362 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -15.487 20.347 -11.407 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -14.703 20.408 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.259 19.566 -10.006 1.00 0.00 H new ATOM 885 N SER A 63 -18.542 20.703 -10.557 1.00 0.00 N ATOM 886 CA SER A 63 -19.881 20.668 -11.213 1.00 0.00 C ATOM 887 C SER A 63 -20.717 21.873 -10.773 1.00 0.00 C ATOM 888 O SER A 63 -21.710 22.151 -11.427 1.00 0.00 O ATOM 889 CB SER A 63 -20.522 19.367 -10.736 1.00 0.00 C ATOM 890 OG SER A 63 -21.335 18.834 -11.774 1.00 0.00 O ATOM 891 OXT SER A 63 -20.351 22.495 -9.790 1.00 0.00 O ATOM 0 H SER A 63 -18.309 19.880 -10.001 1.00 0.00 H new ATOM 0 HA SER A 63 -19.810 20.712 -12.300 1.00 0.00 H new ATOM 0 HB2 SER A 63 -19.751 18.649 -10.458 1.00 0.00 H new ATOM 0 HB3 SER A 63 -21.123 19.550 -9.845 1.00 0.00 H new ATOM 0 HG SER A 63 -21.622 17.929 -11.532 1.00 0.00 H new TER 897 SER A 63 ATOM 898 N LEU B 8 19.142 -28.781 -1.441 1.00 0.00 N ATOM 899 CA LEU B 8 20.013 -29.715 -0.669 1.00 0.00 C ATOM 900 C LEU B 8 21.001 -28.925 0.194 1.00 0.00 C ATOM 901 O LEU B 8 21.998 -28.425 -0.287 1.00 0.00 O ATOM 902 CB LEU B 8 20.757 -30.529 -1.728 1.00 0.00 C ATOM 903 CG LEU B 8 20.781 -32.002 -1.316 1.00 0.00 C ATOM 904 CD1 LEU B 8 20.721 -32.882 -2.566 1.00 0.00 C ATOM 905 CD2 LEU B 8 22.071 -32.295 -0.548 1.00 0.00 C ATOM 0 HA LEU B 8 19.441 -30.351 0.006 1.00 0.00 H new ATOM 0 HB2 LEU B 8 20.268 -30.419 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU B 8 21.775 -30.155 -1.841 1.00 0.00 H new ATOM 0 HG LEU B 8 19.922 -32.216 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU B 8 20.738 -33.932 -2.273 1.00 0.00 H new ATOM 0 HD12 LEU B 8 19.802 -32.673 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU B 8 21.580 -32.669 -3.203 1.00 0.00 H new ATOM 0 HD21 LEU B 8 22.089 -33.344 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU B 8 22.930 -32.082 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU B 8 22.115 -31.668 0.342 1.00 0.00 H new ATOM 917 N GLU B 9 20.732 -28.811 1.467 1.00 0.00 N ATOM 918 CA GLU B 9 21.656 -28.053 2.359 1.00 0.00 C ATOM 919 C GLU B 9 21.913 -26.651 1.790 1.00 0.00 C ATOM 920 O GLU B 9 22.864 -26.447 1.061 1.00 0.00 O ATOM 921 CB GLU B 9 22.950 -28.871 2.375 1.00 0.00 C ATOM 922 CG GLU B 9 23.457 -28.994 3.813 1.00 0.00 C ATOM 923 CD GLU B 9 24.987 -29.013 3.814 1.00 0.00 C ATOM 924 OE1 GLU B 9 25.571 -28.143 3.188 1.00 0.00 O ATOM 925 OE2 GLU B 9 25.549 -29.895 4.442 1.00 0.00 O ATOM 0 H GLU B 9 19.914 -29.209 1.927 1.00 0.00 H new ATOM 0 HA GLU B 9 21.246 -27.918 3.360 1.00 0.00 H new ATOM 0 HB2 GLU B 9 22.772 -29.861 1.955 1.00 0.00 H new ATOM 0 HB3 GLU B 9 23.704 -28.391 1.752 1.00 0.00 H new ATOM 0 HG2 GLU B 9 23.093 -28.159 4.411 1.00 0.00 H new ATOM 0 HG3 GLU B 9 23.071 -29.905 4.269 1.00 0.00 H new ATOM 932 N PRO B 10 21.052 -25.727 2.141 1.00 0.00 N ATOM 933 CA PRO B 10 21.198 -24.334 1.652 1.00 0.00 C ATOM 934 C PRO B 10 22.366 -23.638 2.358 1.00 0.00 C ATOM 935 O PRO B 10 23.254 -23.103 1.725 1.00 0.00 O ATOM 936 CB PRO B 10 19.870 -23.680 2.022 1.00 0.00 C ATOM 937 CG PRO B 10 19.350 -24.482 3.173 1.00 0.00 C ATOM 938 CD PRO B 10 19.879 -25.884 3.013 1.00 0.00 C ATOM 0 HA PRO B 10 21.411 -24.276 0.585 1.00 0.00 H new ATOM 0 HB2 PRO B 10 20.009 -22.635 2.300 1.00 0.00 H new ATOM 0 HB3 PRO B 10 19.174 -23.697 1.183 1.00 0.00 H new ATOM 0 HG2 PRO B 10 19.677 -24.053 4.120 1.00 0.00 H new ATOM 0 HG3 PRO B 10 18.260 -24.481 3.182 1.00 0.00 H new ATOM 0 HD2 PRO B 10 20.152 -26.319 3.974 1.00 0.00 H new ATOM 0 HD3 PRO B 10 19.135 -26.542 2.565 1.00 0.00 H new ATOM 946 N ASP B 11 22.370 -23.644 3.666 1.00 0.00 N ATOM 947 CA ASP B 11 23.476 -22.985 4.430 1.00 0.00 C ATOM 948 C ASP B 11 23.534 -21.489 4.103 1.00 0.00 C ATOM 949 O ASP B 11 23.039 -20.663 4.845 1.00 0.00 O ATOM 950 CB ASP B 11 24.763 -23.686 3.982 1.00 0.00 C ATOM 951 CG ASP B 11 25.336 -24.494 5.147 1.00 0.00 C ATOM 952 OD1 ASP B 11 24.573 -25.201 5.783 1.00 0.00 O ATOM 953 OD2 ASP B 11 26.529 -24.392 5.383 1.00 0.00 O ATOM 0 H ASP B 11 21.650 -24.080 4.243 1.00 0.00 H new ATOM 0 HA ASP B 11 23.329 -23.068 5.507 1.00 0.00 H new ATOM 0 HB2 ASP B 11 24.557 -24.343 3.137 1.00 0.00 H new ATOM 0 HB3 ASP B 11 25.492 -22.950 3.643 1.00 0.00 H new ATOM 958 N ASN B 12 24.133 -21.134 3.001 1.00 0.00 N ATOM 959 CA ASN B 12 24.222 -19.693 2.630 1.00 0.00 C ATOM 960 C ASN B 12 24.097 -19.530 1.112 1.00 0.00 C ATOM 961 O ASN B 12 24.620 -18.600 0.532 1.00 0.00 O ATOM 962 CB ASN B 12 25.604 -19.246 3.106 1.00 0.00 C ATOM 963 CG ASN B 12 26.676 -20.133 2.470 1.00 0.00 C ATOM 964 OD1 ASN B 12 26.961 -21.208 2.960 1.00 0.00 O ATOM 965 ND2 ASN B 12 27.287 -19.726 1.391 1.00 0.00 N ATOM 0 H ASN B 12 24.565 -21.779 2.340 1.00 0.00 H new ATOM 0 HA ASN B 12 23.426 -19.100 3.080 1.00 0.00 H new ATOM 0 HB2 ASN B 12 25.773 -18.203 2.837 1.00 0.00 H new ATOM 0 HB3 ASN B 12 25.663 -19.308 4.193 1.00 0.00 H new ATOM 0 HD21 ASN B 12 28.003 -20.310 0.959 1.00 0.00 H new ATOM 0 HD22 ASN B 12 27.048 -18.824 0.979 1.00 0.00 H new ATOM 972 N VAL B 13 23.407 -20.430 0.465 1.00 0.00 N ATOM 973 CA VAL B 13 23.249 -20.327 -1.014 1.00 0.00 C ATOM 974 C VAL B 13 22.055 -19.411 -1.358 1.00 0.00 C ATOM 975 O VAL B 13 22.185 -18.527 -2.181 1.00 0.00 O ATOM 976 CB VAL B 13 23.044 -21.784 -1.487 1.00 0.00 C ATOM 977 CG1 VAL B 13 22.182 -21.845 -2.756 1.00 0.00 C ATOM 978 CG2 VAL B 13 24.411 -22.403 -1.788 1.00 0.00 C ATOM 0 H VAL B 13 22.946 -21.231 0.896 1.00 0.00 H new ATOM 0 HA VAL B 13 24.108 -19.878 -1.511 1.00 0.00 H new ATOM 0 HB VAL B 13 22.532 -22.333 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL B 13 22.057 -22.884 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL B 13 21.205 -21.407 -2.553 1.00 0.00 H new ATOM 0 HG13 VAL B 13 22.671 -21.288 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL B 13 24.279 -23.432 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL B 13 24.907 -21.828 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL B 13 25.023 -22.391 -0.886 1.00 0.00 H new ATOM 988 N PRO B 14 20.933 -19.644 -0.721 1.00 0.00 N ATOM 989 CA PRO B 14 19.738 -18.815 -0.984 1.00 0.00 C ATOM 990 C PRO B 14 19.811 -17.510 -0.188 1.00 0.00 C ATOM 991 O PRO B 14 20.085 -16.458 -0.729 1.00 0.00 O ATOM 992 CB PRO B 14 18.583 -19.691 -0.510 1.00 0.00 C ATOM 993 CG PRO B 14 19.172 -20.630 0.502 1.00 0.00 C ATOM 994 CD PRO B 14 20.667 -20.678 0.286 1.00 0.00 C ATOM 0 HA PRO B 14 19.636 -18.522 -2.029 1.00 0.00 H new ATOM 0 HB2 PRO B 14 17.790 -19.088 -0.069 1.00 0.00 H new ATOM 0 HB3 PRO B 14 18.141 -20.239 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO B 14 18.944 -20.291 1.513 1.00 0.00 H new ATOM 0 HG3 PRO B 14 18.740 -21.625 0.394 1.00 0.00 H new ATOM 0 HD2 PRO B 14 21.207 -20.477 1.211 1.00 0.00 H new ATOM 0 HD3 PRO B 14 20.985 -21.661 -0.062 1.00 0.00 H new ATOM 1002 N MET B 15 19.576 -17.568 1.095 1.00 0.00 N ATOM 1003 CA MET B 15 19.640 -16.330 1.922 1.00 0.00 C ATOM 1004 C MET B 15 19.408 -16.667 3.398 1.00 0.00 C ATOM 1005 O MET B 15 18.397 -17.232 3.764 1.00 0.00 O ATOM 1006 CB MET B 15 18.518 -15.434 1.394 1.00 0.00 C ATOM 1007 CG MET B 15 19.103 -14.093 0.948 1.00 0.00 C ATOM 1008 SD MET B 15 18.179 -13.477 -0.481 1.00 0.00 S ATOM 1009 CE MET B 15 19.141 -11.966 -0.739 1.00 0.00 C ATOM 0 H MET B 15 19.342 -18.419 1.606 1.00 0.00 H new ATOM 0 HA MET B 15 20.613 -15.842 1.855 1.00 0.00 H new ATOM 0 HB2 MET B 15 18.014 -15.919 0.558 1.00 0.00 H new ATOM 0 HB3 MET B 15 17.769 -15.276 2.170 1.00 0.00 H new ATOM 0 HG2 MET B 15 19.053 -13.373 1.765 1.00 0.00 H new ATOM 0 HG3 MET B 15 20.156 -14.211 0.691 1.00 0.00 H new ATOM 0 HE1 MET B 15 18.737 -11.418 -1.590 1.00 0.00 H new ATOM 0 HE2 MET B 15 19.086 -11.343 0.153 1.00 0.00 H new ATOM 0 HE3 MET B 15 20.181 -12.226 -0.936 1.00 0.00 H new ATOM 1019 N ASP B 16 20.337 -16.324 4.247 1.00 0.00 N ATOM 1020 CA ASP B 16 20.169 -16.625 5.698 1.00 0.00 C ATOM 1021 C ASP B 16 19.633 -15.393 6.434 1.00 0.00 C ATOM 1022 O ASP B 16 19.966 -15.147 7.576 1.00 0.00 O ATOM 1023 CB ASP B 16 21.572 -16.978 6.194 1.00 0.00 C ATOM 1024 CG ASP B 16 21.505 -17.385 7.667 1.00 0.00 C ATOM 1025 OD1 ASP B 16 21.130 -18.515 7.932 1.00 0.00 O ATOM 1026 OD2 ASP B 16 21.831 -16.560 8.505 1.00 0.00 O ATOM 0 H ASP B 16 21.205 -15.849 4.000 1.00 0.00 H new ATOM 0 HA ASP B 16 19.460 -17.434 5.873 1.00 0.00 H new ATOM 0 HB2 ASP B 16 21.985 -17.792 5.599 1.00 0.00 H new ATOM 0 HB3 ASP B 16 22.238 -16.124 6.072 1.00 0.00 H new ATOM 1031 N MET B 17 18.806 -14.618 5.788 1.00 0.00 N ATOM 1032 CA MET B 17 18.250 -13.404 6.450 1.00 0.00 C ATOM 1033 C MET B 17 17.472 -13.797 7.710 1.00 0.00 C ATOM 1034 O MET B 17 17.430 -13.066 8.678 1.00 0.00 O ATOM 1035 CB MET B 17 17.312 -12.782 5.414 1.00 0.00 C ATOM 1036 CG MET B 17 16.223 -13.789 5.041 1.00 0.00 C ATOM 1037 SD MET B 17 15.684 -13.491 3.338 1.00 0.00 S ATOM 1038 CE MET B 17 14.935 -11.868 3.619 1.00 0.00 C ATOM 0 H MET B 17 18.491 -14.773 4.830 1.00 0.00 H new ATOM 0 HA MET B 17 19.031 -12.710 6.762 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.861 -11.874 5.815 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.874 -12.493 4.526 1.00 0.00 H new ATOM 0 HG2 MET B 17 16.603 -14.806 5.141 1.00 0.00 H new ATOM 0 HG3 MET B 17 15.378 -13.696 5.723 1.00 0.00 H new ATOM 0 HE1 MET B 17 14.305 -11.606 2.769 1.00 0.00 H new ATOM 0 HE2 MET B 17 14.328 -11.899 4.524 1.00 0.00 H new ATOM 0 HE3 MET B 17 15.720 -11.120 3.734 1.00 0.00 H new ATOM 1048 N SER B 18 16.856 -14.947 7.702 1.00 0.00 N ATOM 1049 CA SER B 18 16.082 -15.385 8.899 1.00 0.00 C ATOM 1050 C SER B 18 16.265 -16.893 9.124 1.00 0.00 C ATOM 1051 O SER B 18 16.294 -17.656 8.179 1.00 0.00 O ATOM 1052 CB SER B 18 14.626 -15.066 8.565 1.00 0.00 C ATOM 1053 OG SER B 18 14.337 -15.520 7.249 1.00 0.00 O ATOM 0 H SER B 18 16.855 -15.602 6.920 1.00 0.00 H new ATOM 0 HA SER B 18 16.410 -14.885 9.811 1.00 0.00 H new ATOM 0 HB2 SER B 18 13.962 -15.548 9.283 1.00 0.00 H new ATOM 0 HB3 SER B 18 14.450 -13.993 8.639 1.00 0.00 H new ATOM 0 HG SER B 18 13.894 -14.805 6.746 1.00 0.00 H new ATOM 1059 N PRO B 19 16.390 -17.279 10.372 1.00 0.00 N ATOM 1060 CA PRO B 19 16.579 -18.712 10.702 1.00 0.00 C ATOM 1061 C PRO B 19 15.267 -19.493 10.548 1.00 0.00 C ATOM 1062 O PRO B 19 14.767 -20.063 11.493 1.00 0.00 O ATOM 1063 CB PRO B 19 17.029 -18.689 12.161 1.00 0.00 C ATOM 1064 CG PRO B 19 16.489 -17.412 12.718 1.00 0.00 C ATOM 1065 CD PRO B 19 16.371 -16.434 11.576 1.00 0.00 C ATOM 0 HA PRO B 19 17.295 -19.204 10.044 1.00 0.00 H new ATOM 0 HB2 PRO B 19 16.643 -19.551 12.706 1.00 0.00 H new ATOM 0 HB3 PRO B 19 18.116 -18.724 12.238 1.00 0.00 H new ATOM 0 HG2 PRO B 19 15.517 -17.577 13.183 1.00 0.00 H new ATOM 0 HG3 PRO B 19 17.150 -17.021 13.491 1.00 0.00 H new ATOM 0 HD2 PRO B 19 15.450 -15.855 11.641 1.00 0.00 H new ATOM 0 HD3 PRO B 19 17.196 -15.722 11.575 1.00 0.00 H new ATOM 1073 N LYS B 20 14.729 -19.535 9.355 1.00 0.00 N ATOM 1074 CA LYS B 20 13.453 -20.293 9.098 1.00 0.00 C ATOM 1075 C LYS B 20 12.293 -19.725 9.925 1.00 0.00 C ATOM 1076 O LYS B 20 11.371 -19.143 9.389 1.00 0.00 O ATOM 1077 CB LYS B 20 13.703 -21.762 9.497 1.00 0.00 C ATOM 1078 CG LYS B 20 15.141 -22.192 9.179 1.00 0.00 C ATOM 1079 CD LYS B 20 15.927 -22.306 10.485 1.00 0.00 C ATOM 1080 CE LYS B 20 16.567 -23.693 10.583 1.00 0.00 C ATOM 1081 NZ LYS B 20 17.720 -23.520 11.509 1.00 0.00 N ATOM 0 H LYS B 20 15.120 -19.072 8.534 1.00 0.00 H new ATOM 0 HA LYS B 20 13.179 -20.208 8.047 1.00 0.00 H new ATOM 0 HB2 LYS B 20 13.511 -21.889 10.562 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.003 -22.408 8.968 1.00 0.00 H new ATOM 0 HG2 LYS B 20 15.141 -23.148 8.655 1.00 0.00 H new ATOM 0 HG3 LYS B 20 15.613 -21.466 8.517 1.00 0.00 H new ATOM 0 HD2 LYS B 20 16.697 -21.536 10.525 1.00 0.00 H new ATOM 0 HD3 LYS B 20 15.265 -22.140 11.335 1.00 0.00 H new ATOM 0 HE2 LYS B 20 15.859 -24.428 10.967 1.00 0.00 H new ATOM 0 HE3 LYS B 20 16.895 -24.046 9.605 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 18.210 -24.430 11.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 18.380 -22.820 11.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 17.376 -23.190 12.433 1.00 0.00 H new ATOM 1095 N ALA B 21 12.325 -19.903 11.224 1.00 0.00 N ATOM 1096 CA ALA B 21 11.218 -19.386 12.093 1.00 0.00 C ATOM 1097 C ALA B 21 10.839 -17.958 11.694 1.00 0.00 C ATOM 1098 O ALA B 21 9.681 -17.638 11.513 1.00 0.00 O ATOM 1099 CB ALA B 21 11.787 -19.411 13.511 1.00 0.00 C ATOM 0 H ALA B 21 13.073 -20.386 11.722 1.00 0.00 H new ATOM 0 HA ALA B 21 10.313 -19.986 12.001 1.00 0.00 H new ATOM 0 HB1 ALA B 21 11.036 -19.046 14.211 1.00 0.00 H new ATOM 0 HB2 ALA B 21 12.063 -20.432 13.775 1.00 0.00 H new ATOM 0 HB3 ALA B 21 12.669 -18.773 13.560 1.00 0.00 H new ATOM 1105 N LEU B 22 11.808 -17.102 11.540 1.00 0.00 N ATOM 1106 CA LEU B 22 11.508 -15.702 11.133 1.00 0.00 C ATOM 1107 C LEU B 22 11.289 -15.661 9.624 1.00 0.00 C ATOM 1108 O LEU B 22 10.538 -14.856 9.111 1.00 0.00 O ATOM 1109 CB LEU B 22 12.748 -14.892 11.515 1.00 0.00 C ATOM 1110 CG LEU B 22 12.820 -14.738 13.035 1.00 0.00 C ATOM 1111 CD1 LEU B 22 13.229 -16.069 13.662 1.00 0.00 C ATOM 1112 CD2 LEU B 22 13.859 -13.672 13.390 1.00 0.00 C ATOM 0 H LEU B 22 12.797 -17.311 11.679 1.00 0.00 H new ATOM 0 HA LEU B 22 10.613 -15.306 11.613 1.00 0.00 H new ATOM 0 HB2 LEU B 22 13.646 -15.390 11.148 1.00 0.00 H new ATOM 0 HB3 LEU B 22 12.712 -13.910 11.042 1.00 0.00 H new ATOM 0 HG LEU B 22 11.844 -14.439 13.416 1.00 0.00 H new ATOM 0 HD11 LEU B 22 13.281 -15.960 14.745 1.00 0.00 H new ATOM 0 HD12 LEU B 22 12.493 -16.832 13.409 1.00 0.00 H new ATOM 0 HD13 LEU B 22 14.206 -16.366 13.280 1.00 0.00 H new ATOM 0 HD21 LEU B 22 13.911 -13.561 14.473 1.00 0.00 H new ATOM 0 HD22 LEU B 22 14.835 -13.974 13.009 1.00 0.00 H new ATOM 0 HD23 LEU B 22 13.572 -12.721 12.941 1.00 0.00 H new ATOM 1124 N GLN B 23 11.946 -16.535 8.911 1.00 0.00 N ATOM 1125 CA GLN B 23 11.785 -16.561 7.429 1.00 0.00 C ATOM 1126 C GLN B 23 10.312 -16.751 7.062 1.00 0.00 C ATOM 1127 O GLN B 23 9.779 -16.064 6.213 1.00 0.00 O ATOM 1128 CB GLN B 23 12.614 -17.759 6.963 1.00 0.00 C ATOM 1129 CG GLN B 23 12.897 -17.632 5.465 1.00 0.00 C ATOM 1130 CD GLN B 23 13.485 -18.945 4.943 1.00 0.00 C ATOM 1131 OE1 GLN B 23 12.758 -19.850 4.585 1.00 0.00 O ATOM 1132 NE2 GLN B 23 14.781 -19.088 4.885 1.00 0.00 N ATOM 0 H GLN B 23 12.587 -17.232 9.290 1.00 0.00 H new ATOM 0 HA GLN B 23 12.111 -15.633 6.960 1.00 0.00 H new ATOM 0 HB2 GLN B 23 13.551 -17.805 7.518 1.00 0.00 H new ATOM 0 HB3 GLN B 23 12.078 -18.686 7.165 1.00 0.00 H new ATOM 0 HG2 GLN B 23 11.978 -17.395 4.929 1.00 0.00 H new ATOM 0 HG3 GLN B 23 13.592 -16.812 5.284 1.00 0.00 H new ATOM 0 HE21 GLN B 23 15.392 -18.328 5.185 1.00 0.00 H new ATOM 0 HE22 GLN B 23 15.183 -19.959 4.539 1.00 0.00 H new ATOM 1141 N GLN B 24 9.647 -17.680 7.694 1.00 0.00 N ATOM 1142 CA GLN B 24 8.208 -17.912 7.381 1.00 0.00 C ATOM 1143 C GLN B 24 7.353 -16.787 7.971 1.00 0.00 C ATOM 1144 O GLN B 24 6.403 -16.333 7.365 1.00 0.00 O ATOM 1145 CB GLN B 24 7.869 -19.247 8.044 1.00 0.00 C ATOM 1146 CG GLN B 24 6.756 -19.941 7.255 1.00 0.00 C ATOM 1147 CD GLN B 24 5.558 -20.193 8.174 1.00 0.00 C ATOM 1148 OE1 GLN B 24 5.693 -20.818 9.207 1.00 0.00 O ATOM 1149 NE2 GLN B 24 4.385 -19.730 7.838 1.00 0.00 N ATOM 0 H GLN B 24 10.038 -18.288 8.413 1.00 0.00 H new ATOM 0 HA GLN B 24 8.015 -17.930 6.308 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.754 -19.882 8.080 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.552 -19.083 9.074 1.00 0.00 H new ATOM 0 HG2 GLN B 24 6.455 -19.322 6.409 1.00 0.00 H new ATOM 0 HG3 GLN B 24 7.119 -20.884 6.847 1.00 0.00 H new ATOM 0 HE21 GLN B 24 4.273 -19.205 6.970 1.00 0.00 H new ATOM 0 HE22 GLN B 24 3.580 -19.893 8.443 1.00 0.00 H new ATOM 1158 N LYS B 25 7.684 -16.334 9.150 1.00 0.00 N ATOM 1159 CA LYS B 25 6.891 -15.238 9.778 1.00 0.00 C ATOM 1160 C LYS B 25 7.019 -13.955 8.954 1.00 0.00 C ATOM 1161 O LYS B 25 6.041 -13.309 8.636 1.00 0.00 O ATOM 1162 CB LYS B 25 7.506 -15.049 11.164 1.00 0.00 C ATOM 1163 CG LYS B 25 6.577 -15.647 12.223 1.00 0.00 C ATOM 1164 CD LYS B 25 6.957 -17.108 12.470 1.00 0.00 C ATOM 1165 CE LYS B 25 5.691 -17.929 12.724 1.00 0.00 C ATOM 1166 NZ LYS B 25 5.871 -18.500 14.089 1.00 0.00 N ATOM 0 H LYS B 25 8.469 -16.675 9.705 1.00 0.00 H new ATOM 0 HA LYS B 25 5.829 -15.475 9.833 1.00 0.00 H new ATOM 0 HB2 LYS B 25 8.483 -15.531 11.208 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.664 -13.989 11.361 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.652 -15.079 13.150 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.541 -15.581 11.892 1.00 0.00 H new ATOM 0 HD2 LYS B 25 7.494 -17.506 11.609 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.628 -17.181 13.326 1.00 0.00 H new ATOM 0 HE2 LYS B 25 4.799 -17.305 12.671 1.00 0.00 H new ATOM 0 HE3 LYS B 25 5.574 -18.716 11.979 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.042 -19.077 14.336 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 6.724 -19.094 14.107 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 5.973 -17.727 14.778 1.00 0.00 H new ATOM 1180 N ILE B 26 8.220 -13.581 8.604 1.00 0.00 N ATOM 1181 CA ILE B 26 8.410 -12.341 7.799 1.00 0.00 C ATOM 1182 C ILE B 26 7.734 -12.489 6.434 1.00 0.00 C ATOM 1183 O ILE B 26 7.040 -11.604 5.974 1.00 0.00 O ATOM 1184 CB ILE B 26 9.924 -12.204 7.634 1.00 0.00 C ATOM 1185 CG1 ILE B 26 10.573 -12.054 9.013 1.00 0.00 C ATOM 1186 CG2 ILE B 26 10.238 -10.970 6.788 1.00 0.00 C ATOM 1187 CD1 ILE B 26 12.079 -12.296 8.897 1.00 0.00 C ATOM 0 H ILE B 26 9.077 -14.080 8.841 1.00 0.00 H new ATOM 0 HA ILE B 26 7.971 -11.466 8.278 1.00 0.00 H new ATOM 0 HB ILE B 26 10.317 -13.092 7.139 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.384 -11.056 9.409 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.133 -12.764 9.713 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.317 -10.874 6.671 1.00 0.00 H new ATOM 0 HG22 ILE B 26 9.775 -11.074 5.807 1.00 0.00 H new ATOM 0 HG23 ILE B 26 9.846 -10.081 7.282 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.541 -12.189 9.878 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.258 -13.303 8.519 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.513 -11.569 8.211 1.00 0.00 H new ATOM 1199 N HIS B 27 7.929 -13.604 5.784 1.00 0.00 N ATOM 1200 CA HIS B 27 7.295 -13.809 4.449 1.00 0.00 C ATOM 1201 C HIS B 27 5.774 -13.908 4.595 1.00 0.00 C ATOM 1202 O HIS B 27 5.035 -13.686 3.657 1.00 0.00 O ATOM 1203 CB HIS B 27 7.872 -15.129 3.936 1.00 0.00 C ATOM 1204 CG HIS B 27 7.557 -15.279 2.474 1.00 0.00 C ATOM 1205 ND1 HIS B 27 6.264 -15.475 2.013 1.00 0.00 N ATOM 1206 CD2 HIS B 27 8.354 -15.266 1.357 1.00 0.00 C ATOM 1207 CE1 HIS B 27 6.322 -15.570 0.672 1.00 0.00 C ATOM 1208 NE2 HIS B 27 7.573 -15.449 0.220 1.00 0.00 N ATOM 0 H HIS B 27 8.499 -14.381 6.118 1.00 0.00 H new ATOM 0 HA HIS B 27 7.495 -12.984 3.766 1.00 0.00 H new ATOM 0 HB2 HIS B 27 8.951 -15.151 4.091 1.00 0.00 H new ATOM 0 HB3 HIS B 27 7.452 -15.964 4.497 1.00 0.00 H new ATOM 0 HD1 HIS B 27 5.422 -15.536 2.586 1.00 0.00 H new ATOM 0 HD2 HIS B 27 9.426 -15.134 1.360 1.00 0.00 H new ATOM 0 HE1 HIS B 27 5.461 -15.725 0.038 1.00 0.00 H new ATOM 1216 N GLU B 28 5.301 -14.239 5.766 1.00 0.00 N ATOM 1217 CA GLU B 28 3.829 -14.352 5.970 1.00 0.00 C ATOM 1218 C GLU B 28 3.190 -12.961 5.993 1.00 0.00 C ATOM 1219 O GLU B 28 2.193 -12.714 5.343 1.00 0.00 O ATOM 1220 CB GLU B 28 3.668 -15.038 7.327 1.00 0.00 C ATOM 1221 CG GLU B 28 3.349 -16.519 7.116 1.00 0.00 C ATOM 1222 CD GLU B 28 1.878 -16.777 7.450 1.00 0.00 C ATOM 1223 OE1 GLU B 28 1.392 -16.175 8.393 1.00 0.00 O ATOM 1224 OE2 GLU B 28 1.264 -17.571 6.756 1.00 0.00 O ATOM 0 H GLU B 28 5.870 -14.436 6.589 1.00 0.00 H new ATOM 0 HA GLU B 28 3.343 -14.912 5.170 1.00 0.00 H new ATOM 0 HB2 GLU B 28 4.582 -14.932 7.911 1.00 0.00 H new ATOM 0 HB3 GLU B 28 2.870 -14.561 7.895 1.00 0.00 H new ATOM 0 HG2 GLU B 28 3.554 -16.802 6.084 1.00 0.00 H new ATOM 0 HG3 GLU B 28 3.990 -17.134 7.748 1.00 0.00 H new ATOM 1231 N LEU B 29 3.754 -12.050 6.738 1.00 0.00 N ATOM 1232 CA LEU B 29 3.178 -10.676 6.800 1.00 0.00 C ATOM 1233 C LEU B 29 3.430 -9.936 5.484 1.00 0.00 C ATOM 1234 O LEU B 29 2.574 -9.239 4.979 1.00 0.00 O ATOM 1235 CB LEU B 29 3.915 -9.990 7.952 1.00 0.00 C ATOM 1236 CG LEU B 29 3.350 -10.483 9.285 1.00 0.00 C ATOM 1237 CD1 LEU B 29 4.269 -10.038 10.424 1.00 0.00 C ATOM 1238 CD2 LEU B 29 1.955 -9.892 9.497 1.00 0.00 C ATOM 0 H LEU B 29 4.588 -12.197 7.306 1.00 0.00 H new ATOM 0 HA LEU B 29 2.099 -10.687 6.955 1.00 0.00 H new ATOM 0 HB2 LEU B 29 4.982 -10.206 7.895 1.00 0.00 H new ATOM 0 HB3 LEU B 29 3.804 -8.908 7.876 1.00 0.00 H new ATOM 0 HG LEU B 29 3.287 -11.571 9.272 1.00 0.00 H new ATOM 0 HD11 LEU B 29 3.867 -10.389 11.374 1.00 0.00 H new ATOM 0 HD12 LEU B 29 5.264 -10.457 10.274 1.00 0.00 H new ATOM 0 HD13 LEU B 29 4.332 -8.950 10.437 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.552 -10.243 10.447 1.00 0.00 H new ATOM 0 HD22 LEU B 29 2.019 -8.804 9.510 1.00 0.00 H new ATOM 0 HD23 LEU B 29 1.299 -10.207 8.686 1.00 0.00 H new ATOM 1250 N GLU B 30 4.600 -10.085 4.924 1.00 0.00 N ATOM 1251 CA GLU B 30 4.905 -9.390 3.641 1.00 0.00 C ATOM 1252 C GLU B 30 3.855 -9.746 2.585 1.00 0.00 C ATOM 1253 O GLU B 30 3.325 -8.887 1.908 1.00 0.00 O ATOM 1254 CB GLU B 30 6.282 -9.910 3.226 1.00 0.00 C ATOM 1255 CG GLU B 30 6.982 -8.865 2.355 1.00 0.00 C ATOM 1256 CD GLU B 30 8.190 -9.501 1.665 1.00 0.00 C ATOM 1257 OE1 GLU B 30 9.236 -9.568 2.290 1.00 0.00 O ATOM 1258 OE2 GLU B 30 8.049 -9.909 0.524 1.00 0.00 O ATOM 0 H GLU B 30 5.357 -10.657 5.299 1.00 0.00 H new ATOM 0 HA GLU B 30 4.895 -8.305 3.746 1.00 0.00 H new ATOM 0 HB2 GLU B 30 6.883 -10.124 4.110 1.00 0.00 H new ATOM 0 HB3 GLU B 30 6.179 -10.846 2.677 1.00 0.00 H new ATOM 0 HG2 GLU B 30 6.289 -8.474 1.610 1.00 0.00 H new ATOM 0 HG3 GLU B 30 7.302 -8.022 2.967 1.00 0.00 H new ATOM 1265 N GLY B 31 3.550 -11.006 2.440 1.00 0.00 N ATOM 1266 CA GLY B 31 2.535 -11.415 1.428 1.00 0.00 C ATOM 1267 C GLY B 31 1.209 -10.713 1.725 1.00 0.00 C ATOM 1268 O GLY B 31 0.387 -10.522 0.850 1.00 0.00 O ATOM 0 H GLY B 31 3.959 -11.770 2.978 1.00 0.00 H new ATOM 0 HA2 GLY B 31 2.879 -11.157 0.427 1.00 0.00 H new ATOM 0 HA3 GLY B 31 2.399 -12.496 1.449 1.00 0.00 H new ATOM 1272 N LEU B 32 0.993 -10.326 2.953 1.00 0.00 N ATOM 1273 CA LEU B 32 -0.280 -9.636 3.305 1.00 0.00 C ATOM 1274 C LEU B 32 -0.298 -8.224 2.710 1.00 0.00 C ATOM 1275 O LEU B 32 -1.325 -7.730 2.290 1.00 0.00 O ATOM 1276 CB LEU B 32 -0.288 -9.576 4.833 1.00 0.00 C ATOM 1277 CG LEU B 32 -1.731 -9.559 5.337 1.00 0.00 C ATOM 1278 CD1 LEU B 32 -2.397 -10.901 5.026 1.00 0.00 C ATOM 1279 CD2 LEU B 32 -1.740 -9.325 6.850 1.00 0.00 C ATOM 0 H LEU B 32 1.643 -10.458 3.728 1.00 0.00 H new ATOM 0 HA LEU B 32 -1.155 -10.156 2.914 1.00 0.00 H new ATOM 0 HB2 LEU B 32 0.241 -10.436 5.244 1.00 0.00 H new ATOM 0 HB3 LEU B 32 0.238 -8.685 5.175 1.00 0.00 H new ATOM 0 HG LEU B 32 -2.279 -8.758 4.841 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -3.426 -10.889 5.386 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -2.391 -11.069 3.949 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.849 -11.703 5.522 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -2.769 -9.313 7.210 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -1.192 -10.126 7.345 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -1.266 -8.369 7.073 1.00 0.00 H new ATOM 1291 N MET B 33 0.832 -7.572 2.672 1.00 0.00 N ATOM 1292 CA MET B 33 0.880 -6.193 2.105 1.00 0.00 C ATOM 1293 C MET B 33 0.512 -6.216 0.618 1.00 0.00 C ATOM 1294 O MET B 33 -0.337 -5.474 0.167 1.00 0.00 O ATOM 1295 CB MET B 33 2.329 -5.741 2.286 1.00 0.00 C ATOM 1296 CG MET B 33 2.439 -4.846 3.523 1.00 0.00 C ATOM 1297 SD MET B 33 4.113 -4.960 4.203 1.00 0.00 S ATOM 1298 CE MET B 33 5.002 -4.368 2.741 1.00 0.00 C ATOM 0 H MET B 33 1.724 -7.934 3.009 1.00 0.00 H new ATOM 0 HA MET B 33 0.176 -5.522 2.597 1.00 0.00 H new ATOM 0 HB2 MET B 33 2.980 -6.609 2.394 1.00 0.00 H new ATOM 0 HB3 MET B 33 2.664 -5.199 1.402 1.00 0.00 H new ATOM 0 HG2 MET B 33 2.212 -3.813 3.259 1.00 0.00 H new ATOM 0 HG3 MET B 33 1.709 -5.152 4.272 1.00 0.00 H new ATOM 0 HE1 MET B 33 5.912 -4.953 2.607 1.00 0.00 H new ATOM 0 HE2 MET B 33 4.368 -4.476 1.861 1.00 0.00 H new ATOM 0 HE3 MET B 33 5.262 -3.318 2.874 1.00 0.00 H new ATOM 1308 N MET B 34 1.151 -7.059 -0.147 1.00 0.00 N ATOM 1309 CA MET B 34 0.847 -7.128 -1.608 1.00 0.00 C ATOM 1310 C MET B 34 -0.663 -7.249 -1.842 1.00 0.00 C ATOM 1311 O MET B 34 -1.241 -6.509 -2.612 1.00 0.00 O ATOM 1312 CB MET B 34 1.566 -8.384 -2.101 1.00 0.00 C ATOM 1313 CG MET B 34 3.057 -8.280 -1.776 1.00 0.00 C ATOM 1314 SD MET B 34 4.028 -8.792 -3.215 1.00 0.00 S ATOM 1315 CE MET B 34 3.920 -7.231 -4.126 1.00 0.00 C ATOM 0 H MET B 34 1.872 -7.704 0.176 1.00 0.00 H new ATOM 0 HA MET B 34 1.174 -6.232 -2.136 1.00 0.00 H new ATOM 0 HB2 MET B 34 1.141 -9.269 -1.627 1.00 0.00 H new ATOM 0 HB3 MET B 34 1.424 -8.499 -3.176 1.00 0.00 H new ATOM 0 HG2 MET B 34 3.309 -7.256 -1.500 1.00 0.00 H new ATOM 0 HG3 MET B 34 3.298 -8.909 -0.919 1.00 0.00 H new ATOM 0 HE1 MET B 34 4.710 -7.192 -4.876 1.00 0.00 H new ATOM 0 HE2 MET B 34 2.949 -7.163 -4.617 1.00 0.00 H new ATOM 0 HE3 MET B 34 4.036 -6.397 -3.434 1.00 0.00 H new ATOM 1325 N GLN B 35 -1.305 -8.178 -1.186 1.00 0.00 N ATOM 1326 CA GLN B 35 -2.778 -8.349 -1.374 1.00 0.00 C ATOM 1327 C GLN B 35 -3.496 -6.999 -1.249 1.00 0.00 C ATOM 1328 O GLN B 35 -3.866 -6.387 -2.230 1.00 0.00 O ATOM 1329 CB GLN B 35 -3.207 -9.300 -0.253 1.00 0.00 C ATOM 1330 CG GLN B 35 -4.732 -9.427 -0.237 1.00 0.00 C ATOM 1331 CD GLN B 35 -5.127 -10.877 -0.522 1.00 0.00 C ATOM 1332 OE1 GLN B 35 -5.759 -11.162 -1.520 1.00 0.00 O ATOM 1333 NE2 GLN B 35 -4.780 -11.813 0.320 1.00 0.00 N ATOM 0 H GLN B 35 -0.874 -8.827 -0.527 1.00 0.00 H new ATOM 0 HA GLN B 35 -3.027 -8.741 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN B 35 -2.753 -10.280 -0.401 1.00 0.00 H new ATOM 0 HB3 GLN B 35 -2.854 -8.927 0.708 1.00 0.00 H new ATOM 0 HG2 GLN B 35 -5.123 -9.116 0.732 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -5.170 -8.766 -0.985 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -4.249 -11.574 1.158 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -5.039 -12.783 0.140 1.00 0.00 H new ATOM 1342 N HIS B 36 -3.697 -6.535 -0.046 1.00 0.00 N ATOM 1343 CA HIS B 36 -4.392 -5.228 0.150 1.00 0.00 C ATOM 1344 C HIS B 36 -3.757 -4.142 -0.727 1.00 0.00 C ATOM 1345 O HIS B 36 -4.428 -3.485 -1.496 1.00 0.00 O ATOM 1346 CB HIS B 36 -4.195 -4.909 1.630 1.00 0.00 C ATOM 1347 CG HIS B 36 -4.881 -5.955 2.465 1.00 0.00 C ATOM 1348 ND1 HIS B 36 -6.199 -6.325 2.248 1.00 0.00 N ATOM 1349 CD2 HIS B 36 -4.445 -6.717 3.520 1.00 0.00 C ATOM 1350 CE1 HIS B 36 -6.507 -7.273 3.154 1.00 0.00 C ATOM 1351 NE2 HIS B 36 -5.473 -7.549 3.953 1.00 0.00 N ATOM 0 H HIS B 36 -3.410 -7.005 0.813 1.00 0.00 H new ATOM 0 HA HIS B 36 -5.445 -5.272 -0.128 1.00 0.00 H new ATOM 0 HB2 HIS B 36 -3.132 -4.879 1.868 1.00 0.00 H new ATOM 0 HB3 HIS B 36 -4.601 -3.923 1.858 1.00 0.00 H new ATOM 0 HD2 HIS B 36 -3.455 -6.677 3.949 1.00 0.00 H new ATOM 0 HE1 HIS B 36 -7.473 -7.752 3.226 1.00 0.00 H new ATOM 0 HE2 HIS B 36 -5.443 -8.225 4.717 1.00 0.00 H new ATOM 1359 N ALA B 37 -2.466 -3.954 -0.616 1.00 0.00 N ATOM 1360 CA ALA B 37 -1.774 -2.915 -1.441 1.00 0.00 C ATOM 1361 C ALA B 37 -2.220 -3.014 -2.905 1.00 0.00 C ATOM 1362 O ALA B 37 -2.325 -2.024 -3.602 1.00 0.00 O ATOM 1363 CB ALA B 37 -0.285 -3.245 -1.310 1.00 0.00 C ATOM 0 H ALA B 37 -1.858 -4.478 0.014 1.00 0.00 H new ATOM 0 HA ALA B 37 -2.002 -1.902 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA B 37 0.299 -2.528 -1.887 1.00 0.00 H new ATOM 0 HB2 ALA B 37 0.009 -3.191 -0.262 1.00 0.00 H new ATOM 0 HB3 ALA B 37 -0.101 -4.251 -1.688 1.00 0.00 H new ATOM 1369 N GLN B 38 -2.498 -4.204 -3.370 1.00 0.00 N ATOM 1370 CA GLN B 38 -2.953 -4.366 -4.780 1.00 0.00 C ATOM 1371 C GLN B 38 -4.440 -4.025 -4.879 1.00 0.00 C ATOM 1372 O GLN B 38 -4.904 -3.493 -5.868 1.00 0.00 O ATOM 1373 CB GLN B 38 -2.715 -5.840 -5.111 1.00 0.00 C ATOM 1374 CG GLN B 38 -1.352 -5.998 -5.788 1.00 0.00 C ATOM 1375 CD GLN B 38 -0.903 -7.458 -5.698 1.00 0.00 C ATOM 1376 OE1 GLN B 38 0.204 -7.740 -5.284 1.00 0.00 O ATOM 1377 NE2 GLN B 38 -1.720 -8.404 -6.071 1.00 0.00 N ATOM 0 H GLN B 38 -2.429 -5.069 -2.834 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.422 -3.710 -5.470 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -2.752 -6.439 -4.201 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -3.504 -6.208 -5.767 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -1.415 -5.689 -6.832 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -0.618 -5.351 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -2.649 -8.168 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -1.430 -9.380 -6.015 1.00 0.00 H new ATOM 1386 N ASN B 39 -5.189 -4.319 -3.850 1.00 0.00 N ATOM 1387 CA ASN B 39 -6.647 -4.003 -3.869 1.00 0.00 C ATOM 1388 C ASN B 39 -6.887 -2.648 -3.200 1.00 0.00 C ATOM 1389 O ASN B 39 -7.959 -2.371 -2.698 1.00 0.00 O ATOM 1390 CB ASN B 39 -7.307 -5.125 -3.067 1.00 0.00 C ATOM 1391 CG ASN B 39 -7.375 -6.392 -3.921 1.00 0.00 C ATOM 1392 OD1 ASN B 39 -6.890 -6.414 -5.035 1.00 0.00 O ATOM 1393 ND2 ASN B 39 -7.958 -7.457 -3.442 1.00 0.00 N ATOM 0 H ASN B 39 -4.854 -4.765 -2.996 1.00 0.00 H new ATOM 0 HA ASN B 39 -7.050 -3.941 -4.880 1.00 0.00 H new ATOM 0 HB2 ASN B 39 -6.740 -5.318 -2.156 1.00 0.00 H new ATOM 0 HB3 ASN B 39 -8.309 -4.826 -2.761 1.00 0.00 H new ATOM 0 HD21 ASN B 39 -8.006 -8.308 -4.003 1.00 0.00 H new ATOM 0 HD22 ASN B 39 -8.365 -7.439 -2.507 1.00 0.00 H new ATOM 1400 N LEU B 40 -5.891 -1.804 -3.190 1.00 0.00 N ATOM 1401 CA LEU B 40 -6.039 -0.461 -2.559 1.00 0.00 C ATOM 1402 C LEU B 40 -6.497 -0.593 -1.104 1.00 0.00 C ATOM 1403 O LEU B 40 -7.311 0.172 -0.627 1.00 0.00 O ATOM 1404 CB LEU B 40 -7.093 0.264 -3.397 1.00 0.00 C ATOM 1405 CG LEU B 40 -6.446 0.814 -4.669 1.00 0.00 C ATOM 1406 CD1 LEU B 40 -6.718 -0.140 -5.833 1.00 0.00 C ATOM 1407 CD2 LEU B 40 -7.039 2.188 -4.988 1.00 0.00 C ATOM 0 H LEU B 40 -4.973 -1.989 -3.595 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.095 0.083 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -7.901 -0.420 -3.654 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -7.535 1.077 -2.821 1.00 0.00 H new ATOM 0 HG LEU B 40 -5.370 0.907 -4.519 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -6.257 0.252 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -6.298 -1.120 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -7.794 -0.233 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -6.579 2.581 -5.894 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -8.114 2.094 -5.138 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -6.847 2.869 -4.159 1.00 0.00 H new ATOM 1419 N GLU B 41 -5.969 -1.549 -0.392 1.00 0.00 N ATOM 1420 CA GLU B 41 -6.359 -1.720 1.037 1.00 0.00 C ATOM 1421 C GLU B 41 -5.123 -1.577 1.934 1.00 0.00 C ATOM 1422 O GLU B 41 -5.123 -1.986 3.077 1.00 0.00 O ATOM 1423 CB GLU B 41 -6.929 -3.136 1.127 1.00 0.00 C ATOM 1424 CG GLU B 41 -8.454 -3.079 1.037 1.00 0.00 C ATOM 1425 CD GLU B 41 -9.029 -2.611 2.375 1.00 0.00 C ATOM 1426 OE1 GLU B 41 -8.340 -2.748 3.373 1.00 0.00 O ATOM 1427 OE2 GLU B 41 -10.146 -2.123 2.380 1.00 0.00 O ATOM 0 H GLU B 41 -5.283 -2.221 -0.738 1.00 0.00 H new ATOM 0 HA GLU B 41 -7.082 -0.973 1.364 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.529 -3.752 0.321 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -6.627 -3.602 2.065 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -8.756 -2.398 0.241 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -8.851 -4.062 0.783 1.00 0.00 H new ATOM 1434 N PHE B 42 -4.067 -1.004 1.413 1.00 0.00 N ATOM 1435 CA PHE B 42 -2.818 -0.835 2.210 1.00 0.00 C ATOM 1436 C PHE B 42 -3.051 0.011 3.465 1.00 0.00 C ATOM 1437 O PHE B 42 -2.190 0.092 4.314 1.00 0.00 O ATOM 1438 CB PHE B 42 -1.827 -0.141 1.272 1.00 0.00 C ATOM 1439 CG PHE B 42 -2.440 1.111 0.686 1.00 0.00 C ATOM 1440 CD1 PHE B 42 -2.730 2.219 1.517 1.00 0.00 C ATOM 1441 CD2 PHE B 42 -2.716 1.180 -0.699 1.00 0.00 C ATOM 1442 CE1 PHE B 42 -3.291 3.389 0.962 1.00 0.00 C ATOM 1443 CE2 PHE B 42 -3.276 2.348 -1.250 1.00 0.00 C ATOM 1444 CZ PHE B 42 -3.563 3.453 -0.420 1.00 0.00 C ATOM 0 H PHE B 42 -4.019 -0.643 0.460 1.00 0.00 H new ATOM 0 HA PHE B 42 -2.449 -1.798 2.563 1.00 0.00 H new ATOM 0 HB2 PHE B 42 -0.918 0.113 1.817 1.00 0.00 H new ATOM 0 HB3 PHE B 42 -1.538 -0.821 0.471 1.00 0.00 H new ATOM 0 HD1 PHE B 42 -2.522 2.169 2.576 1.00 0.00 H new ATOM 0 HD2 PHE B 42 -2.497 0.335 -1.335 1.00 0.00 H new ATOM 0 HE1 PHE B 42 -3.512 4.235 1.596 1.00 0.00 H new ATOM 0 HE2 PHE B 42 -3.486 2.399 -2.308 1.00 0.00 H new ATOM 0 HZ PHE B 42 -3.992 4.349 -0.844 1.00 0.00 H new ATOM 1454 N GLU B 43 -4.190 0.642 3.612 1.00 0.00 N ATOM 1455 CA GLU B 43 -4.421 1.460 4.843 1.00 0.00 C ATOM 1456 C GLU B 43 -4.091 0.614 6.078 1.00 0.00 C ATOM 1457 O GLU B 43 -3.141 0.871 6.790 1.00 0.00 O ATOM 1458 CB GLU B 43 -5.908 1.817 4.815 1.00 0.00 C ATOM 1459 CG GLU B 43 -6.279 2.557 6.101 1.00 0.00 C ATOM 1460 CD GLU B 43 -7.801 2.598 6.247 1.00 0.00 C ATOM 1461 OE1 GLU B 43 -8.448 3.130 5.360 1.00 0.00 O ATOM 1462 OE2 GLU B 43 -8.294 2.094 7.242 1.00 0.00 O ATOM 0 H GLU B 43 -4.960 0.627 2.943 1.00 0.00 H new ATOM 0 HA GLU B 43 -3.798 2.354 4.880 1.00 0.00 H new ATOM 0 HB2 GLU B 43 -6.127 2.440 3.948 1.00 0.00 H new ATOM 0 HB3 GLU B 43 -6.508 0.912 4.717 1.00 0.00 H new ATOM 0 HG2 GLU B 43 -5.834 2.057 6.962 1.00 0.00 H new ATOM 0 HG3 GLU B 43 -5.878 3.570 6.078 1.00 0.00 H new ATOM 1469 N GLU B 44 -4.853 -0.415 6.307 1.00 0.00 N ATOM 1470 CA GLU B 44 -4.578 -1.313 7.464 1.00 0.00 C ATOM 1471 C GLU B 44 -3.480 -2.321 7.092 1.00 0.00 C ATOM 1472 O GLU B 44 -2.879 -2.944 7.941 1.00 0.00 O ATOM 1473 CB GLU B 44 -5.900 -2.033 7.731 1.00 0.00 C ATOM 1474 CG GLU B 44 -6.295 -2.853 6.502 1.00 0.00 C ATOM 1475 CD GLU B 44 -6.104 -4.342 6.798 1.00 0.00 C ATOM 1476 OE1 GLU B 44 -5.000 -4.717 7.158 1.00 0.00 O ATOM 1477 OE2 GLU B 44 -7.064 -5.081 6.661 1.00 0.00 O ATOM 0 H GLU B 44 -5.660 -0.676 5.740 1.00 0.00 H new ATOM 0 HA GLU B 44 -4.230 -0.768 8.341 1.00 0.00 H new ATOM 0 HB2 GLU B 44 -5.802 -2.685 8.599 1.00 0.00 H new ATOM 0 HB3 GLU B 44 -6.680 -1.308 7.963 1.00 0.00 H new ATOM 0 HG2 GLU B 44 -7.334 -2.654 6.238 1.00 0.00 H new ATOM 0 HG3 GLU B 44 -5.687 -2.561 5.646 1.00 0.00 H new ATOM 1484 N ALA B 45 -3.240 -2.507 5.819 1.00 0.00 N ATOM 1485 CA ALA B 45 -2.207 -3.491 5.375 1.00 0.00 C ATOM 1486 C ALA B 45 -0.786 -2.913 5.453 1.00 0.00 C ATOM 1487 O ALA B 45 0.132 -3.565 5.910 1.00 0.00 O ATOM 1488 CB ALA B 45 -2.570 -3.788 3.918 1.00 0.00 C ATOM 0 H ALA B 45 -3.718 -2.016 5.064 1.00 0.00 H new ATOM 0 HA ALA B 45 -2.203 -4.376 6.011 1.00 0.00 H new ATOM 0 HB1 ALA B 45 -1.861 -4.506 3.506 1.00 0.00 H new ATOM 0 HB2 ALA B 45 -3.576 -4.204 3.871 1.00 0.00 H new ATOM 0 HB3 ALA B 45 -2.531 -2.866 3.338 1.00 0.00 H new ATOM 1494 N ALA B 46 -0.592 -1.715 4.980 1.00 0.00 N ATOM 1495 CA ALA B 46 0.775 -1.115 4.991 1.00 0.00 C ATOM 1496 C ALA B 46 1.394 -1.134 6.390 1.00 0.00 C ATOM 1497 O ALA B 46 2.579 -1.361 6.537 1.00 0.00 O ATOM 1498 CB ALA B 46 0.592 0.320 4.500 1.00 0.00 C ATOM 0 H ALA B 46 -1.322 -1.122 4.585 1.00 0.00 H new ATOM 0 HA ALA B 46 1.457 -1.683 4.358 1.00 0.00 H new ATOM 0 HB1 ALA B 46 1.558 0.824 4.482 1.00 0.00 H new ATOM 0 HB2 ALA B 46 0.169 0.310 3.495 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -0.082 0.851 5.172 1.00 0.00 H new ATOM 1504 N GLN B 47 0.625 -0.901 7.425 1.00 0.00 N ATOM 1505 CA GLN B 47 1.223 -0.916 8.797 1.00 0.00 C ATOM 1506 C GLN B 47 2.013 -2.210 9.003 1.00 0.00 C ATOM 1507 O GLN B 47 2.931 -2.270 9.797 1.00 0.00 O ATOM 1508 CB GLN B 47 0.049 -0.842 9.772 1.00 0.00 C ATOM 1509 CG GLN B 47 -0.941 -1.966 9.477 1.00 0.00 C ATOM 1510 CD GLN B 47 -1.021 -2.908 10.679 1.00 0.00 C ATOM 1511 OE1 GLN B 47 -1.959 -2.851 11.449 1.00 0.00 O ATOM 1512 NE2 GLN B 47 -0.068 -3.777 10.878 1.00 0.00 N ATOM 0 H GLN B 47 -0.375 -0.704 7.382 1.00 0.00 H new ATOM 0 HA GLN B 47 1.911 -0.084 8.949 1.00 0.00 H new ATOM 0 HB2 GLN B 47 0.410 -0.923 10.797 1.00 0.00 H new ATOM 0 HB3 GLN B 47 -0.448 0.124 9.685 1.00 0.00 H new ATOM 0 HG2 GLN B 47 -1.925 -1.550 9.262 1.00 0.00 H new ATOM 0 HG3 GLN B 47 -0.627 -2.517 8.590 1.00 0.00 H new ATOM 0 HE21 GLN B 47 0.720 -3.826 10.233 1.00 0.00 H new ATOM 0 HE22 GLN B 47 -0.111 -4.407 11.679 1.00 0.00 H new ATOM 1521 N ILE B 48 1.675 -3.242 8.276 1.00 0.00 N ATOM 1522 CA ILE B 48 2.420 -4.523 8.414 1.00 0.00 C ATOM 1523 C ILE B 48 3.908 -4.265 8.180 1.00 0.00 C ATOM 1524 O ILE B 48 4.760 -4.920 8.748 1.00 0.00 O ATOM 1525 CB ILE B 48 1.849 -5.436 7.329 1.00 0.00 C ATOM 1526 CG1 ILE B 48 0.384 -5.745 7.644 1.00 0.00 C ATOM 1527 CG2 ILE B 48 2.645 -6.742 7.284 1.00 0.00 C ATOM 1528 CD1 ILE B 48 0.289 -6.445 9.000 1.00 0.00 C ATOM 0 H ILE B 48 0.916 -3.251 7.594 1.00 0.00 H new ATOM 0 HA ILE B 48 2.317 -4.970 9.403 1.00 0.00 H new ATOM 0 HB ILE B 48 1.919 -4.936 6.363 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -0.198 -4.824 7.657 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.040 -6.379 6.865 1.00 0.00 H new ATOM 0 HG21 ILE B 48 2.236 -7.391 6.510 1.00 0.00 H new ATOM 0 HG22 ILE B 48 3.689 -6.524 7.060 1.00 0.00 H new ATOM 0 HG23 ILE B 48 2.578 -7.243 8.250 1.00 0.00 H new ATOM 0 HD11 ILE B 48 -0.755 -6.665 9.224 1.00 0.00 H new ATOM 0 HD12 ILE B 48 0.857 -7.375 8.970 1.00 0.00 H new ATOM 0 HD13 ILE B 48 0.697 -5.795 9.774 1.00 0.00 H new ATOM 1540 N ARG B 49 4.228 -3.299 7.357 1.00 0.00 N ATOM 1541 CA ARG B 49 5.666 -2.987 7.103 1.00 0.00 C ATOM 1542 C ARG B 49 6.387 -2.791 8.437 1.00 0.00 C ATOM 1543 O ARG B 49 7.565 -3.054 8.566 1.00 0.00 O ATOM 1544 CB ARG B 49 5.667 -1.691 6.288 1.00 0.00 C ATOM 1545 CG ARG B 49 5.058 -0.556 7.115 1.00 0.00 C ATOM 1546 CD ARG B 49 6.171 0.202 7.841 1.00 0.00 C ATOM 1547 NE ARG B 49 5.543 0.696 9.097 1.00 0.00 N ATOM 1548 CZ ARG B 49 5.900 1.849 9.596 1.00 0.00 C ATOM 1549 NH1 ARG B 49 7.127 2.271 9.451 1.00 0.00 N ATOM 1550 NH2 ARG B 49 5.031 2.579 10.239 1.00 0.00 N ATOM 0 H ARG B 49 3.560 -2.716 6.853 1.00 0.00 H new ATOM 0 HA ARG B 49 6.179 -3.787 6.570 1.00 0.00 H new ATOM 0 HB2 ARG B 49 6.686 -1.435 5.997 1.00 0.00 H new ATOM 0 HB3 ARG B 49 5.098 -1.829 5.369 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.504 0.123 6.467 1.00 0.00 H new ATOM 0 HG3 ARG B 49 4.347 -0.959 7.837 1.00 0.00 H new ATOM 0 HD2 ARG B 49 7.019 -0.449 8.053 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.546 1.027 7.236 1.00 0.00 H new ATOM 0 HE ARG B 49 4.834 0.134 9.568 1.00 0.00 H new ATOM 0 HH11 ARG B 49 7.807 1.700 8.948 1.00 0.00 H new ATOM 0 HH12 ARG B 49 7.406 3.171 9.841 1.00 0.00 H new ATOM 0 HH21 ARG B 49 4.072 2.249 10.352 1.00 0.00 H new ATOM 0 HH22 ARG B 49 5.310 3.479 10.629 1.00 0.00 H new ATOM 1564 N ASP B 50 5.673 -2.346 9.437 1.00 0.00 N ATOM 1565 CA ASP B 50 6.303 -2.153 10.770 1.00 0.00 C ATOM 1566 C ASP B 50 6.664 -3.520 11.347 1.00 0.00 C ATOM 1567 O ASP B 50 7.747 -3.724 11.861 1.00 0.00 O ATOM 1568 CB ASP B 50 5.234 -1.469 11.624 1.00 0.00 C ATOM 1569 CG ASP B 50 5.848 -0.266 12.342 1.00 0.00 C ATOM 1570 OD1 ASP B 50 6.882 -0.438 12.966 1.00 0.00 O ATOM 1571 OD2 ASP B 50 5.274 0.807 12.256 1.00 0.00 O ATOM 0 H ASP B 50 4.682 -2.109 9.386 1.00 0.00 H new ATOM 0 HA ASP B 50 7.215 -1.558 10.729 1.00 0.00 H new ATOM 0 HB2 ASP B 50 4.403 -1.146 10.996 1.00 0.00 H new ATOM 0 HB3 ASP B 50 4.829 -2.173 12.351 1.00 0.00 H new ATOM 1576 N GLN B 51 5.769 -4.466 11.248 1.00 0.00 N ATOM 1577 CA GLN B 51 6.067 -5.827 11.773 1.00 0.00 C ATOM 1578 C GLN B 51 7.161 -6.471 10.918 1.00 0.00 C ATOM 1579 O GLN B 51 7.959 -7.254 11.394 1.00 0.00 O ATOM 1580 CB GLN B 51 4.756 -6.602 11.641 1.00 0.00 C ATOM 1581 CG GLN B 51 3.714 -6.011 12.592 1.00 0.00 C ATOM 1582 CD GLN B 51 2.446 -6.864 12.552 1.00 0.00 C ATOM 1583 OE1 GLN B 51 1.352 -6.345 12.453 1.00 0.00 O ATOM 1584 NE2 GLN B 51 2.545 -8.164 12.625 1.00 0.00 N ATOM 0 H GLN B 51 4.847 -4.354 10.827 1.00 0.00 H new ATOM 0 HA GLN B 51 6.421 -5.813 12.804 1.00 0.00 H new ATOM 0 HB2 GLN B 51 4.395 -6.554 10.614 1.00 0.00 H new ATOM 0 HB3 GLN B 51 4.919 -7.655 11.872 1.00 0.00 H new ATOM 0 HG2 GLN B 51 4.110 -5.977 13.607 1.00 0.00 H new ATOM 0 HG3 GLN B 51 3.484 -4.985 12.305 1.00 0.00 H new ATOM 0 HE21 GLN B 51 3.463 -8.602 12.708 1.00 0.00 H new ATOM 0 HE22 GLN B 51 1.705 -8.742 12.599 1.00 0.00 H new ATOM 1593 N LEU B 52 7.203 -6.138 9.656 1.00 0.00 N ATOM 1594 CA LEU B 52 8.245 -6.717 8.761 1.00 0.00 C ATOM 1595 C LEU B 52 9.625 -6.188 9.158 1.00 0.00 C ATOM 1596 O LEU B 52 10.591 -6.923 9.220 1.00 0.00 O ATOM 1597 CB LEU B 52 7.872 -6.234 7.357 1.00 0.00 C ATOM 1598 CG LEU B 52 7.264 -7.390 6.558 1.00 0.00 C ATOM 1599 CD1 LEU B 52 8.295 -8.512 6.416 1.00 0.00 C ATOM 1600 CD2 LEU B 52 6.029 -7.922 7.289 1.00 0.00 C ATOM 0 H LEU B 52 6.559 -5.488 9.206 1.00 0.00 H new ATOM 0 HA LEU B 52 8.287 -7.805 8.820 1.00 0.00 H new ATOM 0 HB2 LEU B 52 7.161 -5.411 7.422 1.00 0.00 H new ATOM 0 HB3 LEU B 52 8.756 -5.852 6.847 1.00 0.00 H new ATOM 0 HG LEU B 52 6.976 -7.035 5.569 1.00 0.00 H new ATOM 0 HD11 LEU B 52 7.862 -9.335 5.847 1.00 0.00 H new ATOM 0 HD12 LEU B 52 9.175 -8.134 5.895 1.00 0.00 H new ATOM 0 HD13 LEU B 52 8.584 -8.868 7.405 1.00 0.00 H new ATOM 0 HD21 LEU B 52 5.596 -8.745 6.720 1.00 0.00 H new ATOM 0 HD22 LEU B 52 6.317 -8.277 8.279 1.00 0.00 H new ATOM 0 HD23 LEU B 52 5.294 -7.124 7.389 1.00 0.00 H new ATOM 1612 N HIS B 53 9.723 -4.915 9.431 1.00 0.00 N ATOM 1613 CA HIS B 53 11.036 -4.332 9.829 1.00 0.00 C ATOM 1614 C HIS B 53 11.334 -4.658 11.293 1.00 0.00 C ATOM 1615 O HIS B 53 12.468 -4.873 11.674 1.00 0.00 O ATOM 1616 CB HIS B 53 10.873 -2.825 9.635 1.00 0.00 C ATOM 1617 CG HIS B 53 12.228 -2.174 9.575 1.00 0.00 C ATOM 1618 ND1 HIS B 53 13.198 -2.396 10.540 1.00 0.00 N ATOM 1619 CD2 HIS B 53 12.788 -1.305 8.672 1.00 0.00 C ATOM 1620 CE1 HIS B 53 14.281 -1.676 10.199 1.00 0.00 C ATOM 1621 NE2 HIS B 53 14.085 -0.991 9.068 1.00 0.00 N ATOM 0 H HIS B 53 8.948 -4.252 9.395 1.00 0.00 H new ATOM 0 HA HIS B 53 11.863 -4.730 9.241 1.00 0.00 H new ATOM 0 HB2 HIS B 53 10.321 -2.624 8.717 1.00 0.00 H new ATOM 0 HB3 HIS B 53 10.292 -2.403 10.455 1.00 0.00 H new ATOM 0 HD1 HIS B 53 13.107 -2.996 11.360 1.00 0.00 H new ATOM 0 HD2 HIS B 53 12.297 -0.923 7.789 1.00 0.00 H new ATOM 0 HE1 HIS B 53 15.198 -1.654 10.769 1.00 0.00 H new ATOM 1629 N GLN B 54 10.324 -4.697 12.119 1.00 0.00 N ATOM 1630 CA GLN B 54 10.549 -5.010 13.560 1.00 0.00 C ATOM 1631 C GLN B 54 11.076 -6.439 13.711 1.00 0.00 C ATOM 1632 O GLN B 54 11.961 -6.704 14.497 1.00 0.00 O ATOM 1633 CB GLN B 54 9.175 -4.871 14.216 1.00 0.00 C ATOM 1634 CG GLN B 54 9.278 -5.231 15.699 1.00 0.00 C ATOM 1635 CD GLN B 54 7.875 -5.364 16.292 1.00 0.00 C ATOM 1636 OE1 GLN B 54 7.183 -4.382 16.472 1.00 0.00 O ATOM 1637 NE2 GLN B 54 7.422 -6.547 16.606 1.00 0.00 N ATOM 0 H GLN B 54 9.353 -4.526 11.859 1.00 0.00 H new ATOM 0 HA GLN B 54 11.285 -4.349 14.018 1.00 0.00 H new ATOM 0 HB2 GLN B 54 8.808 -3.851 14.103 1.00 0.00 H new ATOM 0 HB3 GLN B 54 8.456 -5.525 13.721 1.00 0.00 H new ATOM 0 HG2 GLN B 54 9.825 -6.166 15.820 1.00 0.00 H new ATOM 0 HG3 GLN B 54 9.838 -4.463 16.232 1.00 0.00 H new ATOM 0 HE21 GLN B 54 8.003 -7.372 16.455 1.00 0.00 H new ATOM 0 HE22 GLN B 54 6.487 -6.647 17.002 1.00 0.00 H new ATOM 1646 N LEU B 55 10.539 -7.362 12.960 1.00 0.00 N ATOM 1647 CA LEU B 55 11.016 -8.771 13.059 1.00 0.00 C ATOM 1648 C LEU B 55 12.479 -8.866 12.615 1.00 0.00 C ATOM 1649 O LEU B 55 13.175 -9.810 12.937 1.00 0.00 O ATOM 1650 CB LEU B 55 10.113 -9.561 12.109 1.00 0.00 C ATOM 1651 CG LEU B 55 9.050 -10.308 12.915 1.00 0.00 C ATOM 1652 CD1 LEU B 55 7.936 -9.338 13.316 1.00 0.00 C ATOM 1653 CD2 LEU B 55 8.463 -11.434 12.063 1.00 0.00 C ATOM 0 H LEU B 55 9.792 -7.202 12.284 1.00 0.00 H new ATOM 0 HA LEU B 55 10.969 -9.154 14.078 1.00 0.00 H new ATOM 0 HB2 LEU B 55 9.637 -8.886 11.398 1.00 0.00 H new ATOM 0 HB3 LEU B 55 10.707 -10.267 11.529 1.00 0.00 H new ATOM 0 HG LEU B 55 9.504 -10.729 13.812 1.00 0.00 H new ATOM 0 HD11 LEU B 55 7.179 -9.871 13.891 1.00 0.00 H new ATOM 0 HD12 LEU B 55 8.354 -8.535 13.923 1.00 0.00 H new ATOM 0 HD13 LEU B 55 7.481 -8.916 12.420 1.00 0.00 H new ATOM 0 HD21 LEU B 55 7.705 -11.967 12.637 1.00 0.00 H new ATOM 0 HD22 LEU B 55 8.009 -11.013 11.166 1.00 0.00 H new ATOM 0 HD23 LEU B 55 9.256 -12.126 11.778 1.00 0.00 H new ATOM 1665 N ARG B 56 12.950 -7.898 11.877 1.00 0.00 N ATOM 1666 CA ARG B 56 14.366 -7.932 11.411 1.00 0.00 C ATOM 1667 C ARG B 56 15.320 -8.042 12.603 1.00 0.00 C ATOM 1668 O ARG B 56 16.087 -8.978 12.711 1.00 0.00 O ATOM 1669 CB ARG B 56 14.573 -6.606 10.679 1.00 0.00 C ATOM 1670 CG ARG B 56 15.923 -6.624 9.961 1.00 0.00 C ATOM 1671 CD ARG B 56 16.488 -5.203 9.900 1.00 0.00 C ATOM 1672 NE ARG B 56 16.995 -5.051 8.508 1.00 0.00 N ATOM 1673 CZ ARG B 56 17.103 -3.863 7.978 1.00 0.00 C ATOM 1674 NH1 ARG B 56 18.281 -3.322 7.825 1.00 0.00 N ATOM 1675 NH2 ARG B 56 16.034 -3.215 7.603 1.00 0.00 N ATOM 0 H ARG B 56 12.415 -7.084 11.576 1.00 0.00 H new ATOM 0 HA ARG B 56 14.566 -8.790 10.769 1.00 0.00 H new ATOM 0 HB2 ARG B 56 13.769 -6.446 9.960 1.00 0.00 H new ATOM 0 HB3 ARG B 56 14.537 -5.778 11.387 1.00 0.00 H new ATOM 0 HG2 ARG B 56 16.617 -7.280 10.486 1.00 0.00 H new ATOM 0 HG3 ARG B 56 15.806 -7.024 8.954 1.00 0.00 H new ATOM 0 HD2 ARG B 56 15.720 -4.463 10.124 1.00 0.00 H new ATOM 0 HD3 ARG B 56 17.287 -5.064 10.629 1.00 0.00 H new ATOM 0 HE ARG B 56 17.258 -5.876 7.968 1.00 0.00 H new ATOM 0 HH11 ARG B 56 19.117 -3.828 8.120 1.00 0.00 H new ATOM 0 HH12 ARG B 56 18.366 -2.394 7.411 1.00 0.00 H new ATOM 0 HH21 ARG B 56 15.113 -3.637 7.724 1.00 0.00 H new ATOM 0 HH22 ARG B 56 16.119 -2.287 7.189 1.00 0.00 H new ATOM 1689 N GLU B 57 15.283 -7.093 13.499 1.00 0.00 N ATOM 1690 CA GLU B 57 16.194 -7.150 14.679 1.00 0.00 C ATOM 1691 C GLU B 57 15.924 -8.415 15.497 1.00 0.00 C ATOM 1692 O GLU B 57 16.774 -8.890 16.224 1.00 0.00 O ATOM 1693 CB GLU B 57 15.870 -5.896 15.495 1.00 0.00 C ATOM 1694 CG GLU B 57 14.428 -5.970 16.005 1.00 0.00 C ATOM 1695 CD GLU B 57 13.725 -4.635 15.748 1.00 0.00 C ATOM 1696 OE1 GLU B 57 14.419 -3.650 15.551 1.00 0.00 O ATOM 1697 OE2 GLU B 57 12.505 -4.620 15.751 1.00 0.00 O ATOM 0 H GLU B 57 14.664 -6.283 13.466 1.00 0.00 H new ATOM 0 HA GLU B 57 17.244 -7.182 14.388 1.00 0.00 H new ATOM 0 HB2 GLU B 57 16.559 -5.809 16.335 1.00 0.00 H new ATOM 0 HB3 GLU B 57 16.003 -5.006 14.880 1.00 0.00 H new ATOM 0 HG2 GLU B 57 13.894 -6.777 15.502 1.00 0.00 H new ATOM 0 HG3 GLU B 57 14.419 -6.198 17.071 1.00 0.00 H new ATOM 1704 N LEU B 58 14.746 -8.965 15.384 1.00 0.00 N ATOM 1705 CA LEU B 58 14.421 -10.200 16.153 1.00 0.00 C ATOM 1706 C LEU B 58 15.390 -11.327 15.782 1.00 0.00 C ATOM 1707 O LEU B 58 15.552 -12.285 16.512 1.00 0.00 O ATOM 1708 CB LEU B 58 12.995 -10.561 15.737 1.00 0.00 C ATOM 1709 CG LEU B 58 12.260 -11.187 16.924 1.00 0.00 C ATOM 1710 CD1 LEU B 58 10.824 -10.662 16.970 1.00 0.00 C ATOM 1711 CD2 LEU B 58 12.241 -12.709 16.764 1.00 0.00 C ATOM 0 H LEU B 58 13.994 -8.612 14.792 1.00 0.00 H new ATOM 0 HA LEU B 58 14.507 -10.050 17.229 1.00 0.00 H new ATOM 0 HB2 LEU B 58 12.467 -9.670 15.398 1.00 0.00 H new ATOM 0 HB3 LEU B 58 13.015 -11.258 14.899 1.00 0.00 H new ATOM 0 HG LEU B 58 12.772 -10.924 17.849 1.00 0.00 H new ATOM 0 HD11 LEU B 58 10.300 -11.108 17.816 1.00 0.00 H new ATOM 0 HD12 LEU B 58 10.836 -9.578 17.082 1.00 0.00 H new ATOM 0 HD13 LEU B 58 10.310 -10.926 16.045 1.00 0.00 H new ATOM 0 HD21 LEU B 58 11.718 -13.157 17.609 1.00 0.00 H new ATOM 0 HD22 LEU B 58 11.728 -12.971 15.839 1.00 0.00 H new ATOM 0 HD23 LEU B 58 13.264 -13.084 16.730 1.00 0.00 H new ATOM 1723 N PHE B 59 16.036 -11.221 14.651 1.00 0.00 N ATOM 1724 CA PHE B 59 16.994 -12.287 14.234 1.00 0.00 C ATOM 1725 C PHE B 59 17.984 -12.589 15.364 1.00 0.00 C ATOM 1726 O PHE B 59 18.242 -13.731 15.687 1.00 0.00 O ATOM 1727 CB PHE B 59 17.725 -11.709 13.022 1.00 0.00 C ATOM 1728 CG PHE B 59 18.748 -12.704 12.528 1.00 0.00 C ATOM 1729 CD1 PHE B 59 20.003 -12.803 13.170 1.00 0.00 C ATOM 1730 CD2 PHE B 59 18.449 -13.536 11.427 1.00 0.00 C ATOM 1731 CE1 PHE B 59 20.960 -13.734 12.709 1.00 0.00 C ATOM 1732 CE2 PHE B 59 19.406 -14.468 10.966 1.00 0.00 C ATOM 1733 CZ PHE B 59 20.662 -14.567 11.607 1.00 0.00 C ATOM 0 H PHE B 59 15.942 -10.443 13.998 1.00 0.00 H new ATOM 0 HA PHE B 59 16.489 -13.224 13.999 1.00 0.00 H new ATOM 0 HB2 PHE B 59 17.012 -11.480 12.229 1.00 0.00 H new ATOM 0 HB3 PHE B 59 18.214 -10.773 13.291 1.00 0.00 H new ATOM 0 HD1 PHE B 59 20.230 -12.167 14.013 1.00 0.00 H new ATOM 0 HD2 PHE B 59 17.489 -13.460 10.937 1.00 0.00 H new ATOM 0 HE1 PHE B 59 21.920 -13.809 13.199 1.00 0.00 H new ATOM 0 HE2 PHE B 59 19.178 -15.105 10.124 1.00 0.00 H new ATOM 0 HZ PHE B 59 21.394 -15.279 11.255 1.00 0.00 H new ATOM 1743 N ILE B 60 18.537 -11.573 15.968 1.00 0.00 N ATOM 1744 CA ILE B 60 19.507 -11.804 17.077 1.00 0.00 C ATOM 1745 C ILE B 60 18.826 -12.554 18.224 1.00 0.00 C ATOM 1746 O ILE B 60 19.401 -13.435 18.831 1.00 0.00 O ATOM 1747 CB ILE B 60 19.935 -10.409 17.527 1.00 0.00 C ATOM 1748 CG1 ILE B 60 20.650 -9.700 16.374 1.00 0.00 C ATOM 1749 CG2 ILE B 60 20.885 -10.526 18.719 1.00 0.00 C ATOM 1750 CD1 ILE B 60 20.179 -8.246 16.297 1.00 0.00 C ATOM 0 H ILE B 60 18.360 -10.594 15.742 1.00 0.00 H new ATOM 0 HA ILE B 60 20.358 -12.408 16.763 1.00 0.00 H new ATOM 0 HB ILE B 60 19.055 -9.835 17.819 1.00 0.00 H new ATOM 0 HG12 ILE B 60 21.729 -9.736 16.524 1.00 0.00 H new ATOM 0 HG13 ILE B 60 20.442 -10.211 15.434 1.00 0.00 H new ATOM 0 HG21 ILE B 60 21.190 -9.530 19.040 1.00 0.00 H new ATOM 0 HG22 ILE B 60 20.378 -11.032 19.540 1.00 0.00 H new ATOM 0 HG23 ILE B 60 21.765 -11.099 18.428 1.00 0.00 H new ATOM 0 HD11 ILE B 60 20.688 -7.742 15.476 1.00 0.00 H new ATOM 0 HD12 ILE B 60 19.103 -8.221 16.127 1.00 0.00 H new ATOM 0 HD13 ILE B 60 20.410 -7.739 17.234 1.00 0.00 H new ATOM 1762 N ALA B 61 17.603 -12.210 18.525 1.00 0.00 N ATOM 1763 CA ALA B 61 16.884 -12.904 19.632 1.00 0.00 C ATOM 1764 C ALA B 61 16.657 -14.375 19.274 1.00 0.00 C ATOM 1765 O ALA B 61 16.454 -15.209 20.135 1.00 0.00 O ATOM 1766 CB ALA B 61 15.548 -12.170 19.758 1.00 0.00 C ATOM 0 H ALA B 61 17.071 -11.479 18.053 1.00 0.00 H new ATOM 0 HA ALA B 61 17.447 -12.888 20.565 1.00 0.00 H new ATOM 0 HB1 ALA B 61 14.958 -12.623 20.555 1.00 0.00 H new ATOM 0 HB2 ALA B 61 15.730 -11.121 19.992 1.00 0.00 H new ATOM 0 HB3 ALA B 61 15.003 -12.243 18.817 1.00 0.00 H new ATOM 1772 N ALA B 62 16.690 -14.700 18.010 1.00 0.00 N ATOM 1773 CA ALA B 62 16.476 -16.118 17.600 1.00 0.00 C ATOM 1774 C ALA B 62 17.822 -16.817 17.391 1.00 0.00 C ATOM 1775 O ALA B 62 18.168 -17.743 18.098 1.00 0.00 O ATOM 1776 CB ALA B 62 15.704 -16.036 16.282 1.00 0.00 C ATOM 0 H ALA B 62 16.856 -14.046 17.245 1.00 0.00 H new ATOM 0 HA ALA B 62 15.936 -16.690 18.355 1.00 0.00 H new ATOM 0 HB1 ALA B 62 15.506 -17.042 15.913 1.00 0.00 H new ATOM 0 HB2 ALA B 62 14.759 -15.517 16.445 1.00 0.00 H new ATOM 0 HB3 ALA B 62 16.295 -15.490 15.547 1.00 0.00 H new ATOM 1782 N SER B 63 18.585 -16.380 16.427 1.00 0.00 N ATOM 1783 CA SER B 63 19.908 -17.020 16.175 1.00 0.00 C ATOM 1784 C SER B 63 20.775 -16.956 17.435 1.00 0.00 C ATOM 1785 O SER B 63 21.757 -17.678 17.492 1.00 0.00 O ATOM 1786 CB SER B 63 20.537 -16.200 15.049 1.00 0.00 C ATOM 1787 OG SER B 63 21.317 -17.055 14.224 1.00 0.00 O ATOM 1788 OXT SER B 63 20.442 -16.186 18.321 1.00 0.00 O ATOM 0 H SER B 63 18.350 -15.608 15.803 1.00 0.00 H new ATOM 0 HA SER B 63 19.813 -18.073 15.908 1.00 0.00 H new ATOM 0 HB2 SER B 63 19.759 -15.716 14.458 1.00 0.00 H new ATOM 0 HB3 SER B 63 21.161 -15.409 15.465 1.00 0.00 H new ATOM 0 HG SER B 63 21.593 -16.570 13.419 1.00 0.00 H new TER 1794 SER B 63