USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 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 11 MET CE :methyl -126:sc= -2.25 (180deg=-7.96!) USER MOD Set 1.2: B 30 MET CE :methyl -147:sc= -3.95! (180deg=-6.05!) USER MOD Set 2.1: A 11 MET CE :methyl 141:sc= -3.09 (180deg=-8.39!) USER MOD Set 2.2: A 30 MET CE :methyl -158:sc= -5.05! (180deg=-8.47!) USER MOD Single : A 6 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.29) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 13 MET CE :methyl -168:sc= -0.154 (180deg=-0.458) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.42) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.4) USER MOD Single : A 39 GLN : amide:sc=-0.00962 K(o=-0.0096,f=-1.1) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : B 8 ASN : amide:sc= -0.0189 K(o=-0.019,f=-0.97) USER MOD Single : B 13 MET CE :methyl -146:sc= -0.409 (180deg=-2.2!) USER MOD Single : B 18 LYS NZ :NH3+ 137:sc= 0.751 (180deg=0.0714) USER MOD Single : B 20 LYS NZ :NH3+ -124:sc= -0.0227 (180deg=-1.26!) USER MOD Single : B 26 ASN :FLIP amide:sc= 0.181 F(o=-3.6!,f=0.18) USER MOD Single : B 29 SER OG : rot 29:sc= 0.198 USER MOD Single : B 31 ASN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : B 39 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.457 -12.532 -4.682 1.00 0.00 N ATOM 26 CA ASP A 4 13.021 -12.192 -4.877 1.00 0.00 C ATOM 27 C ASP A 4 12.147 -13.342 -4.260 1.00 0.00 C ATOM 28 O ASP A 4 11.871 -14.317 -4.969 1.00 0.00 O ATOM 29 CB ASP A 4 12.807 -11.840 -6.373 1.00 0.00 C ATOM 30 CG ASP A 4 11.411 -11.531 -6.919 1.00 0.00 C ATOM 31 OD1 ASP A 4 10.412 -11.802 -6.041 1.00 0.00 O ATOM 32 OD2 ASP A 4 11.225 -11.094 -8.050 1.00 0.00 O ATOM 0 HA ASP A 4 12.693 -11.301 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.433 -10.975 -6.590 1.00 0.00 H new ATOM 0 HB3 ASP A 4 13.201 -12.672 -6.956 1.00 0.00 H new ATOM 33 N PRO A 5 11.735 -13.312 -2.953 1.00 0.00 N ATOM 34 CA PRO A 5 11.202 -14.515 -2.255 1.00 0.00 C ATOM 35 C PRO A 5 9.664 -14.505 -2.029 1.00 0.00 C ATOM 36 O PRO A 5 9.064 -13.443 -1.844 1.00 0.00 O ATOM 37 CB PRO A 5 11.996 -14.475 -0.922 1.00 0.00 C ATOM 38 CG PRO A 5 12.900 -13.239 -1.006 1.00 0.00 C ATOM 39 CD PRO A 5 12.173 -12.313 -1.956 1.00 0.00 C ATOM 0 HA PRO A 5 11.332 -15.427 -2.837 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.322 -14.408 -0.068 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.586 -15.382 -0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.037 -12.778 -0.028 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.891 -13.495 -1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.339 -11.794 -1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.824 -11.549 -2.382 1.00 0.00 H new ATOM 40 N HIS A 6 9.064 -15.706 -2.013 1.00 0.00 N ATOM 41 CA HIS A 6 7.598 -15.896 -1.837 1.00 0.00 C ATOM 42 C HIS A 6 7.161 -16.044 -0.344 1.00 0.00 C ATOM 43 O HIS A 6 7.743 -16.841 0.403 1.00 0.00 O ATOM 44 CB HIS A 6 7.160 -17.211 -2.562 1.00 0.00 C ATOM 45 CG HIS A 6 7.372 -17.353 -4.068 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.528 -17.884 -4.622 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.444 -17.030 -5.071 1.00 0.00 C ATOM 48 CE1 HIS A 6 8.193 -17.810 -5.950 1.00 0.00 C ATOM 49 NE2 HIS A 6 6.964 -17.330 -6.318 1.00 0.00 N ATOM 0 H HIS A 6 9.576 -16.582 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 6 7.128 -15.003 -2.250 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.683 -18.038 -2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.096 -17.350 -2.369 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.465 -16.608 -4.895 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.897 -18.130 -6.704 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.551 -17.224 -7.245 1.00 0.00 H new ATOM 50 N PHE A 7 6.046 -15.420 0.071 1.00 0.00 N ATOM 51 CA PHE A 7 5.150 -16.034 1.091 1.00 0.00 C ATOM 52 C PHE A 7 3.668 -16.057 0.585 1.00 0.00 C ATOM 53 O PHE A 7 3.241 -15.242 -0.241 1.00 0.00 O ATOM 54 CB PHE A 7 5.375 -15.393 2.494 1.00 0.00 C ATOM 55 CG PHE A 7 4.774 -14.004 2.757 1.00 0.00 C ATOM 56 CD1 PHE A 7 3.432 -13.912 3.146 1.00 0.00 C ATOM 57 CD2 PHE A 7 5.521 -12.826 2.621 1.00 0.00 C ATOM 58 CE1 PHE A 7 2.854 -12.682 3.384 1.00 0.00 C ATOM 59 CE2 PHE A 7 4.942 -11.601 2.905 1.00 0.00 C ATOM 60 CZ PHE A 7 3.632 -11.541 3.364 1.00 0.00 C ATOM 0 H PHE A 7 5.739 -14.509 -0.270 1.00 0.00 H new ATOM 0 HA PHE A 7 5.410 -17.083 1.231 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.974 -16.077 3.242 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.450 -15.329 2.664 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.845 -14.811 3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.549 -12.874 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.795 -12.612 3.586 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.509 -10.692 2.770 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.222 -10.602 3.705 1.00 0.00 H new ATOM 61 N ASN A 8 2.834 -16.955 1.133 1.00 0.00 N ATOM 62 CA ASN A 8 1.365 -16.910 0.882 1.00 0.00 C ATOM 63 C ASN A 8 0.691 -15.700 1.611 1.00 0.00 C ATOM 64 O ASN A 8 0.199 -15.834 2.736 1.00 0.00 O ATOM 65 CB ASN A 8 0.723 -18.280 1.231 1.00 0.00 C ATOM 66 CG ASN A 8 1.045 -19.446 0.290 1.00 0.00 C ATOM 67 OD1 ASN A 8 1.631 -19.318 -0.778 1.00 0.00 O ATOM 68 ND2 ASN A 8 0.648 -20.638 0.648 1.00 0.00 N ATOM 0 H ASN A 8 3.135 -17.714 1.745 1.00 0.00 H new ATOM 0 HA ASN A 8 1.190 -16.738 -0.180 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.037 -18.557 2.237 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.359 -18.153 1.258 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.828 -21.439 0.042 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.158 -20.768 1.533 1.00 0.00 H new ATOM 69 N PHE A 9 0.639 -14.515 0.961 1.00 0.00 N ATOM 70 CA PHE A 9 -0.344 -13.482 1.302 1.00 0.00 C ATOM 71 C PHE A 9 -1.788 -13.953 0.965 1.00 0.00 C ATOM 72 O PHE A 9 -2.075 -14.890 0.222 1.00 0.00 O ATOM 73 CB PHE A 9 0.158 -12.142 0.696 1.00 0.00 C ATOM 74 CG PHE A 9 -0.353 -10.863 1.378 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.412 -10.759 2.777 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.531 -9.695 0.627 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.702 -9.562 3.390 1.00 0.00 C ATOM 78 CE2 PHE A 9 -0.902 -8.508 1.237 1.00 0.00 C ATOM 79 CZ PHE A 9 -0.901 -8.440 2.612 1.00 0.00 C ATOM 0 H PHE A 9 1.268 -14.258 0.200 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.427 -13.297 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.248 -12.137 0.728 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.130 -12.110 -0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.226 -11.634 3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.377 -9.720 -0.442 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.773 -9.501 4.466 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.187 -7.651 0.645 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.060 -7.486 3.093 1.00 0.00 H new ATOM 80 N ARG A 10 -2.673 -13.396 1.750 1.00 0.00 N ATOM 81 CA ARG A 10 -3.872 -14.113 2.261 1.00 0.00 C ATOM 82 C ARG A 10 -4.838 -13.063 2.868 1.00 0.00 C ATOM 83 O ARG A 10 -4.613 -12.543 3.968 1.00 0.00 O ATOM 84 CB ARG A 10 -3.428 -15.185 3.296 1.00 0.00 C ATOM 85 CG ARG A 10 -4.442 -16.302 3.556 1.00 0.00 C ATOM 86 CD ARG A 10 -5.694 -15.923 4.361 1.00 0.00 C ATOM 87 NE ARG A 10 -6.291 -17.120 5.020 1.00 0.00 N ATOM 88 CZ ARG A 10 -5.975 -17.588 6.220 1.00 0.00 C ATOM 89 NH1 ARG A 10 -5.061 -17.076 6.989 1.00 0.00 N ATOM 90 NH2 ARG A 10 -6.625 -18.614 6.641 1.00 0.00 N ATOM 0 H ARG A 10 -2.606 -12.430 2.069 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.396 -14.638 1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.497 -15.635 2.952 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.211 -14.686 4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.764 -16.700 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.932 -17.110 4.081 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.434 -15.180 5.115 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.429 -15.463 3.701 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.008 -17.625 4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.533 -16.260 6.680 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.872 -17.490 7.902 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.349 -19.033 6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.416 -19.009 7.558 1.00 0.00 H new ATOM 91 N MET A 11 -5.861 -12.683 2.104 1.00 0.00 N ATOM 92 CA MET A 11 -6.454 -11.327 2.240 1.00 0.00 C ATOM 93 C MET A 11 -7.994 -11.362 2.494 1.00 0.00 C ATOM 94 O MET A 11 -8.700 -11.762 1.566 1.00 0.00 O ATOM 95 CB MET A 11 -6.158 -10.557 0.929 1.00 0.00 C ATOM 96 CG MET A 11 -4.712 -10.163 0.614 1.00 0.00 C ATOM 97 SD MET A 11 -3.956 -11.531 -0.279 1.00 0.00 S ATOM 98 CE MET A 11 -2.847 -10.585 -1.304 1.00 0.00 C ATOM 0 H MET A 11 -6.298 -13.271 1.395 1.00 0.00 H new ATOM 0 HA MET A 11 -6.011 -10.837 3.107 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.522 -11.164 0.100 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.753 -9.644 0.941 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.685 -9.253 0.014 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.163 -9.956 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.896 -11.110 -1.392 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.285 -10.459 -2.294 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.681 -9.607 -0.853 1.00 0.00 H new ATOM 99 N PRO A 12 -8.592 -10.884 3.630 1.00 0.00 N ATOM 100 CA PRO A 12 -10.065 -10.647 3.739 1.00 0.00 C ATOM 101 C PRO A 12 -10.759 -9.972 2.514 1.00 0.00 C ATOM 102 O PRO A 12 -10.129 -9.179 1.799 1.00 0.00 O ATOM 103 CB PRO A 12 -10.159 -9.817 5.034 1.00 0.00 C ATOM 104 CG PRO A 12 -8.954 -10.256 5.868 1.00 0.00 C ATOM 105 CD PRO A 12 -7.850 -10.500 4.841 1.00 0.00 C ATOM 0 HA PRO A 12 -10.619 -11.586 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.125 -8.748 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.095 -10.008 5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.666 -9.488 6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.173 -11.159 6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.248 -9.606 4.677 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.169 -11.288 5.162 1.00 0.00 H new ATOM 106 N MET A 13 -12.021 -10.343 2.230 1.00 0.00 N ATOM 107 CA MET A 13 -12.629 -10.106 0.882 1.00 0.00 C ATOM 108 C MET A 13 -12.569 -8.651 0.310 1.00 0.00 C ATOM 109 O MET A 13 -12.282 -8.490 -0.875 1.00 0.00 O ATOM 110 CB MET A 13 -14.069 -10.684 0.834 1.00 0.00 C ATOM 111 CG MET A 13 -14.639 -10.927 -0.591 1.00 0.00 C ATOM 112 SD MET A 13 -14.436 -12.616 -1.216 1.00 0.00 S ATOM 113 CE MET A 13 -12.660 -12.790 -1.467 1.00 0.00 C ATOM 0 H MET A 13 -12.642 -10.802 2.896 1.00 0.00 H new ATOM 0 HA MET A 13 -11.974 -10.647 0.199 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.082 -11.628 1.379 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.735 -10.002 1.362 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.701 -10.681 -0.589 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.154 -10.238 -1.283 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.461 -13.696 -2.040 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.283 -11.925 -2.013 1.00 0.00 H new ATOM 0 HE3 MET A 13 -12.161 -12.855 -0.500 1.00 0.00 H new ATOM 114 N GLU A 14 -12.745 -7.607 1.138 1.00 0.00 N ATOM 115 CA GLU A 14 -12.427 -6.217 0.721 1.00 0.00 C ATOM 116 C GLU A 14 -10.927 -5.901 0.414 1.00 0.00 C ATOM 117 O GLU A 14 -10.699 -5.247 -0.590 1.00 0.00 O ATOM 118 CB GLU A 14 -13.126 -5.193 1.654 1.00 0.00 C ATOM 119 CG GLU A 14 -12.471 -4.963 3.039 1.00 0.00 C ATOM 120 CD GLU A 14 -13.213 -3.960 3.914 1.00 0.00 C ATOM 121 OE1 GLU A 14 -13.074 -2.745 3.832 1.00 0.00 O ATOM 122 OE2 GLU A 14 -14.052 -4.564 4.798 1.00 0.00 O ATOM 0 H GLU A 14 -13.101 -7.690 2.090 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.856 -6.110 -0.275 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.173 -4.235 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.153 -5.521 1.812 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.413 -5.916 3.565 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.448 -4.616 2.893 1.00 0.00 H new ATOM 123 N VAL A 15 -9.897 -6.335 1.166 1.00 0.00 N ATOM 124 CA VAL A 15 -8.462 -6.129 0.770 1.00 0.00 C ATOM 125 C VAL A 15 -8.106 -6.796 -0.574 1.00 0.00 C ATOM 126 O VAL A 15 -7.518 -6.128 -1.410 1.00 0.00 O ATOM 127 CB VAL A 15 -7.431 -6.644 1.835 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.192 -5.742 1.839 1.00 0.00 C ATOM 129 CG2 VAL A 15 -7.903 -6.837 3.295 1.00 0.00 C ATOM 0 H VAL A 15 -10.016 -6.830 2.050 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.381 -5.045 0.685 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.234 -7.659 1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.480 -6.105 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.728 -5.757 0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.485 -4.722 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.072 -7.197 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.257 -5.885 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.714 -7.565 3.322 1.00 0.00 H new ATOM 130 N ARG A 16 -8.421 -8.080 -0.788 1.00 0.00 N ATOM 131 CA ARG A 16 -8.231 -8.701 -2.102 1.00 0.00 C ATOM 132 C ARG A 16 -9.164 -8.194 -3.214 1.00 0.00 C ATOM 133 O ARG A 16 -8.637 -7.952 -4.282 1.00 0.00 O ATOM 134 CB ARG A 16 -8.205 -10.239 -2.053 1.00 0.00 C ATOM 135 CG ARG A 16 -7.002 -10.744 -2.884 1.00 0.00 C ATOM 136 CD ARG A 16 -7.267 -12.098 -3.491 1.00 0.00 C ATOM 137 NE ARG A 16 -6.129 -12.515 -4.346 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.173 -13.539 -5.200 1.00 0.00 C ATOM 139 NH1 ARG A 16 -7.184 -14.344 -5.332 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.163 -13.733 -5.968 1.00 0.00 N ATOM 0 H ARG A 16 -8.804 -8.702 -0.076 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.235 -8.361 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.122 -10.582 -1.022 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.135 -10.645 -2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.782 -10.028 -3.676 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.118 -10.798 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.425 -12.833 -2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.182 -12.065 -4.083 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.259 -11.986 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.018 -14.213 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.144 -15.107 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.355 -13.112 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.168 -14.508 -6.631 1.00 0.00 H new ATOM 141 N GLU A 17 -10.465 -7.937 -3.036 1.00 0.00 N ATOM 142 CA GLU A 17 -11.202 -7.126 -4.044 1.00 0.00 C ATOM 143 C GLU A 17 -10.616 -5.694 -4.276 1.00 0.00 C ATOM 144 O GLU A 17 -10.491 -5.300 -5.425 1.00 0.00 O ATOM 145 CB GLU A 17 -12.710 -7.042 -3.748 1.00 0.00 C ATOM 146 CG GLU A 17 -13.517 -8.345 -3.968 1.00 0.00 C ATOM 147 CD GLU A 17 -15.023 -8.165 -3.805 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.566 -7.484 -4.854 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.661 -8.585 -2.846 1.00 0.00 O ATOM 0 H GLU A 17 -11.021 -8.258 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.060 -7.675 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.840 -6.728 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.140 -6.261 -4.375 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.311 -8.726 -4.968 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.171 -9.100 -3.262 1.00 0.00 H new ATOM 150 N LYS A 18 -10.191 -4.942 -3.254 1.00 0.00 N ATOM 151 CA LYS A 18 -9.435 -3.679 -3.436 1.00 0.00 C ATOM 152 C LYS A 18 -8.044 -3.835 -4.129 1.00 0.00 C ATOM 153 O LYS A 18 -7.841 -3.209 -5.165 1.00 0.00 O ATOM 154 CB LYS A 18 -9.473 -2.855 -2.133 1.00 0.00 C ATOM 155 CG LYS A 18 -10.847 -2.357 -1.595 1.00 0.00 C ATOM 156 CD LYS A 18 -10.818 -1.611 -0.234 1.00 0.00 C ATOM 157 CE LYS A 18 -10.236 -2.378 0.963 1.00 0.00 C ATOM 158 NZ LYS A 18 -10.299 -1.565 2.194 1.00 0.00 N ATOM 0 H LYS A 18 -10.356 -5.183 -2.277 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.947 -3.080 -4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.011 -3.456 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.840 -1.980 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.287 -1.694 -2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.511 -3.217 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.244 -0.693 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.838 -1.317 0.014 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.788 -3.307 1.108 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.201 -2.651 0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.900 -2.106 2.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.752 -0.691 2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.290 -1.326 2.402 1.00 0.00 H new ATOM 159 N LEU A 19 -7.126 -4.681 -3.643 1.00 0.00 N ATOM 160 CA LEU A 19 -5.846 -5.005 -4.317 1.00 0.00 C ATOM 161 C LEU A 19 -5.949 -5.703 -5.720 1.00 0.00 C ATOM 162 O LEU A 19 -5.120 -5.452 -6.596 1.00 0.00 O ATOM 163 CB LEU A 19 -5.015 -5.816 -3.300 1.00 0.00 C ATOM 164 CG LEU A 19 -4.035 -5.167 -2.295 1.00 0.00 C ATOM 165 CD1 LEU A 19 -3.261 -6.354 -1.680 1.00 0.00 C ATOM 166 CD2 LEU A 19 -3.029 -4.173 -2.922 1.00 0.00 C ATOM 0 H LEU A 19 -7.247 -5.171 -2.757 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.359 -4.069 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.728 -6.390 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.432 -6.532 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.600 -4.572 -1.578 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.541 -5.981 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.961 -7.028 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.735 -6.893 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.383 -3.769 -2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.421 -4.690 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.573 -3.359 -3.401 1.00 0.00 H new ATOM 167 N LYS A 20 -6.908 -6.616 -5.908 1.00 0.00 N ATOM 168 CA LYS A 20 -7.109 -7.389 -7.136 1.00 0.00 C ATOM 169 C LYS A 20 -8.060 -6.680 -8.164 1.00 0.00 C ATOM 170 O LYS A 20 -7.945 -6.973 -9.346 1.00 0.00 O ATOM 171 CB LYS A 20 -7.656 -8.783 -6.778 1.00 0.00 C ATOM 172 CG LYS A 20 -7.526 -9.878 -7.852 1.00 0.00 C ATOM 173 CD LYS A 20 -8.194 -11.223 -7.484 1.00 0.00 C ATOM 174 CE LYS A 20 -9.473 -11.151 -6.631 1.00 0.00 C ATOM 175 NZ LYS A 20 -10.108 -12.479 -6.513 1.00 0.00 N ATOM 0 H LYS A 20 -7.589 -6.844 -5.183 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.139 -7.476 -7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.145 -9.127 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.711 -8.679 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.964 -9.512 -8.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.468 -10.054 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.431 -11.749 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.463 -11.831 -6.950 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.231 -10.771 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.174 -10.448 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.968 -12.402 -5.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.359 -12.829 -7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.445 -13.142 -6.063 1.00 0.00 H new ATOM 176 N PHE A 21 -8.991 -5.776 -7.770 1.00 0.00 N ATOM 177 CA PHE A 21 -9.510 -4.704 -8.666 1.00 0.00 C ATOM 178 C PHE A 21 -8.406 -3.712 -9.032 1.00 0.00 C ATOM 179 O PHE A 21 -8.030 -3.755 -10.183 1.00 0.00 O ATOM 180 CB PHE A 21 -10.707 -3.911 -8.077 1.00 0.00 C ATOM 181 CG PHE A 21 -12.053 -4.609 -7.994 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.447 -5.626 -8.867 1.00 0.00 C ATOM 183 CD2 PHE A 21 -12.913 -4.198 -6.980 1.00 0.00 C ATOM 184 CE1 PHE A 21 -13.649 -6.282 -8.667 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.119 -4.847 -6.781 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.496 -5.897 -7.624 1.00 0.00 C ATOM 0 H PHE A 21 -9.401 -5.766 -6.836 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.867 -5.230 -9.551 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.434 -3.592 -7.071 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.835 -3.008 -8.674 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.814 -5.900 -9.698 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.638 -3.369 -6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.934 -7.094 -9.319 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.769 -4.542 -5.974 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.435 -6.407 -7.470 1.00 0.00 H new ATOM 187 N ARG A 22 -7.794 -2.906 -8.158 1.00 0.00 N ATOM 188 CA ARG A 22 -6.443 -2.312 -8.414 1.00 0.00 C ATOM 189 C ARG A 22 -5.553 -3.054 -9.499 1.00 0.00 C ATOM 190 O ARG A 22 -5.356 -2.540 -10.596 1.00 0.00 O ATOM 191 CB ARG A 22 -5.845 -2.058 -7.019 1.00 0.00 C ATOM 192 CG ARG A 22 -4.592 -1.163 -7.068 1.00 0.00 C ATOM 193 CD ARG A 22 -4.394 -0.222 -5.890 1.00 0.00 C ATOM 194 NE ARG A 22 -5.541 0.693 -5.686 1.00 0.00 N ATOM 195 CZ ARG A 22 -5.519 1.879 -5.091 1.00 0.00 C ATOM 196 NH1 ARG A 22 -4.455 2.446 -4.621 1.00 0.00 N ATOM 197 NH2 ARG A 22 -6.635 2.508 -4.991 1.00 0.00 N ATOM 0 H ARG A 22 -8.199 -2.639 -7.261 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.507 -1.364 -8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.597 -1.590 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.588 -3.012 -6.558 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.715 -1.805 -7.145 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.632 -0.567 -7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.238 -0.809 -4.985 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.490 0.366 -6.049 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.444 0.378 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.552 1.977 -4.696 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.519 3.362 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.490 2.092 -5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.666 3.423 -4.541 1.00 0.00 H new ATOM 198 N ALA A 23 -5.312 -4.366 -9.355 1.00 0.00 N ATOM 199 CA ALA A 23 -4.906 -5.226 -10.497 1.00 0.00 C ATOM 200 C ALA A 23 -5.863 -5.311 -11.758 1.00 0.00 C ATOM 201 O ALA A 23 -5.561 -4.720 -12.796 1.00 0.00 O ATOM 202 CB ALA A 23 -4.446 -6.542 -9.847 1.00 0.00 C ATOM 0 H ALA A 23 -5.388 -4.861 -8.466 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.093 -4.761 -11.054 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.127 -7.239 -10.622 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.613 -6.343 -9.173 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.272 -6.978 -9.285 1.00 0.00 H new ATOM 203 N GLU A 24 -6.995 -6.015 -11.683 1.00 0.00 N ATOM 204 CA GLU A 24 -7.939 -6.254 -12.822 1.00 0.00 C ATOM 205 C GLU A 24 -8.858 -5.071 -13.307 1.00 0.00 C ATOM 206 O GLU A 24 -9.095 -4.928 -14.507 1.00 0.00 O ATOM 207 CB GLU A 24 -8.782 -7.521 -12.485 1.00 0.00 C ATOM 208 CG GLU A 24 -8.030 -8.857 -12.202 1.00 0.00 C ATOM 209 CD GLU A 24 -7.027 -9.309 -13.263 1.00 0.00 C ATOM 210 OE1 GLU A 24 -7.332 -9.930 -14.275 1.00 0.00 O ATOM 211 OE2 GLU A 24 -5.751 -8.945 -12.957 1.00 0.00 O ATOM 0 H GLU A 24 -7.305 -6.453 -10.816 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.295 -6.382 -13.692 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.392 -7.292 -11.611 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.467 -7.695 -13.315 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.503 -8.758 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.771 -9.646 -12.074 1.00 0.00 H new ATOM 229 N ARG A 28 -2.749 -4.278 -14.116 1.00 0.00 N ATOM 230 CA ARG A 28 -1.599 -5.035 -13.535 1.00 0.00 C ATOM 231 C ARG A 28 -2.220 -6.356 -12.941 1.00 0.00 C ATOM 232 O ARG A 28 -3.438 -6.549 -12.912 1.00 0.00 O ATOM 233 CB ARG A 28 -0.783 -4.020 -12.673 1.00 0.00 C ATOM 234 CG ARG A 28 0.122 -3.001 -13.418 1.00 0.00 C ATOM 235 CD ARG A 28 0.611 -1.737 -12.643 1.00 0.00 C ATOM 236 NE ARG A 28 -0.309 -0.733 -12.064 1.00 0.00 N ATOM 237 CZ ARG A 28 -1.433 -0.267 -12.585 1.00 0.00 C ATOM 238 NH1 ARG A 28 -1.975 -0.687 -13.680 1.00 0.00 N ATOM 239 NH2 ARG A 28 -1.995 0.697 -11.958 1.00 0.00 N ATOM 0 HA ARG A 28 -0.820 -5.422 -14.192 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.488 -3.457 -12.061 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.153 -4.591 -11.990 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.004 -3.536 -13.771 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.419 -2.660 -14.301 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.228 -2.099 -11.821 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.270 -1.196 -13.322 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.045 -0.355 -11.154 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.533 -1.435 -14.214 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.845 -0.271 -14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.574 1.065 -11.105 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.864 1.098 -12.312 1.00 0.00 H new ATOM 240 N SER A 29 -1.430 -7.366 -12.571 1.00 0.00 N ATOM 241 CA SER A 29 -1.996 -8.690 -12.130 1.00 0.00 C ATOM 242 C SER A 29 -1.378 -8.996 -10.761 1.00 0.00 C ATOM 243 O SER A 29 -0.168 -9.102 -10.714 1.00 0.00 O ATOM 244 CB SER A 29 -1.714 -9.770 -13.194 1.00 0.00 C ATOM 245 OG SER A 29 -2.350 -11.000 -12.844 1.00 0.00 O ATOM 0 H SER A 29 -0.411 -7.318 -12.560 1.00 0.00 H new ATOM 0 HA SER A 29 -3.081 -8.667 -12.029 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.073 -9.433 -14.166 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.639 -9.924 -13.287 1.00 0.00 H new ATOM 0 HG SER A 29 -2.162 -11.673 -13.531 1.00 0.00 H new ATOM 246 N MET A 30 -2.112 -9.017 -9.643 1.00 0.00 N ATOM 247 CA MET A 30 -1.598 -8.554 -8.311 1.00 0.00 C ATOM 248 C MET A 30 -0.135 -8.827 -7.855 1.00 0.00 C ATOM 249 O MET A 30 0.472 -7.958 -7.243 1.00 0.00 O ATOM 250 CB MET A 30 -2.440 -9.212 -7.211 1.00 0.00 C ATOM 251 CG MET A 30 -3.790 -8.634 -6.957 1.00 0.00 C ATOM 252 SD MET A 30 -4.665 -9.814 -5.918 1.00 0.00 S ATOM 253 CE MET A 30 -4.640 -8.815 -4.446 1.00 0.00 C ATOM 0 H MET A 30 -3.076 -9.350 -9.616 1.00 0.00 H new ATOM 0 HA MET A 30 -1.655 -7.475 -8.456 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.564 -10.265 -7.463 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.873 -9.172 -6.281 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.711 -7.666 -6.462 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.324 -8.471 -7.893 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.766 -9.453 -3.571 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.687 -8.291 -4.378 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.452 -8.088 -4.486 1.00 0.00 H new ATOM 254 N ASN A 31 0.484 -9.982 -8.112 1.00 0.00 N ATOM 255 CA ASN A 31 1.966 -10.057 -8.072 1.00 0.00 C ATOM 256 C ASN A 31 2.698 -8.883 -8.851 1.00 0.00 C ATOM 257 O ASN A 31 3.376 -8.103 -8.201 1.00 0.00 O ATOM 258 CB ASN A 31 2.413 -11.501 -8.412 1.00 0.00 C ATOM 259 CG ASN A 31 3.893 -11.830 -8.221 1.00 0.00 C ATOM 260 OD1 ASN A 31 4.551 -12.332 -9.121 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.460 -11.590 -7.066 1.00 0.00 N ATOM 0 H ASN A 31 0.012 -10.856 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 31 2.309 -9.861 -7.056 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.831 -12.189 -7.799 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.153 -11.701 -9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.443 -11.822 -6.923 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.919 -11.171 -6.309 1.00 0.00 H new ATOM 262 N SER A 32 2.383 -8.636 -10.133 1.00 0.00 N ATOM 263 CA SER A 32 2.425 -7.279 -10.772 1.00 0.00 C ATOM 264 C SER A 32 1.736 -6.048 -10.067 1.00 0.00 C ATOM 265 O SER A 32 2.460 -5.100 -9.767 1.00 0.00 O ATOM 266 CB SER A 32 2.110 -7.473 -12.282 1.00 0.00 C ATOM 267 OG SER A 32 2.001 -6.234 -12.990 1.00 0.00 O ATOM 0 H SER A 32 2.087 -9.371 -10.775 1.00 0.00 H new ATOM 0 HA SER A 32 3.437 -6.902 -10.623 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.894 -8.078 -12.737 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.178 -8.028 -12.385 1.00 0.00 H new ATOM 0 HG SER A 32 1.804 -6.412 -13.933 1.00 0.00 H new ATOM 268 N GLU A 33 0.416 -5.973 -9.801 1.00 0.00 N ATOM 269 CA GLU A 33 -0.198 -4.703 -9.242 1.00 0.00 C ATOM 270 C GLU A 33 -0.135 -4.483 -7.711 1.00 0.00 C ATOM 271 O GLU A 33 0.188 -3.395 -7.257 1.00 0.00 O ATOM 272 CB GLU A 33 -1.679 -4.572 -9.508 1.00 0.00 C ATOM 273 CG GLU A 33 -2.250 -3.110 -9.545 1.00 0.00 C ATOM 274 CD GLU A 33 -1.510 -1.780 -9.266 1.00 0.00 C ATOM 275 OE1 GLU A 33 -0.300 -1.615 -9.208 1.00 0.00 O ATOM 276 OE2 GLU A 33 -2.384 -0.757 -9.108 1.00 0.00 O ATOM 0 H GLU A 33 -0.244 -6.736 -9.950 1.00 0.00 H new ATOM 0 HA GLU A 33 0.433 -3.986 -9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.899 -5.050 -10.463 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.216 -5.130 -8.741 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.667 -2.996 -10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.089 -3.117 -8.849 1.00 0.00 H new ATOM 277 N LEU A 34 -0.495 -5.489 -6.884 1.00 0.00 N ATOM 278 CA LEU A 34 -0.123 -5.497 -5.456 1.00 0.00 C ATOM 279 C LEU A 34 1.435 -5.214 -5.400 1.00 0.00 C ATOM 280 O LEU A 34 1.744 -4.314 -4.635 1.00 0.00 O ATOM 281 CB LEU A 34 -0.922 -6.641 -4.732 1.00 0.00 C ATOM 282 CG LEU A 34 -0.259 -7.414 -3.596 1.00 0.00 C ATOM 283 CD1 LEU A 34 0.402 -6.545 -2.512 1.00 0.00 C ATOM 284 CD2 LEU A 34 -0.901 -8.536 -2.815 1.00 0.00 C ATOM 0 H LEU A 34 -1.039 -6.300 -7.180 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.445 -4.711 -4.774 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.838 -6.201 -4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.217 -7.365 -5.491 1.00 0.00 H new ATOM 0 HG LEU A 34 0.391 -7.910 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.844 -7.187 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.180 -5.929 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.349 -5.902 -2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.201 -8.905 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.800 -8.168 -2.321 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.166 -9.347 -3.494 1.00 0.00 H new ATOM 285 N LEU A 35 2.406 -5.696 -6.253 1.00 0.00 N ATOM 286 CA LEU A 35 3.797 -5.139 -6.201 1.00 0.00 C ATOM 287 C LEU A 35 3.923 -3.688 -6.624 1.00 0.00 C ATOM 288 O LEU A 35 4.447 -2.896 -5.854 1.00 0.00 O ATOM 289 CB LEU A 35 4.907 -5.907 -6.953 1.00 0.00 C ATOM 290 CG LEU A 35 5.582 -7.048 -6.187 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.654 -7.623 -7.098 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.216 -6.506 -4.886 1.00 0.00 C ATOM 0 H LEU A 35 2.258 -6.429 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 35 3.966 -5.257 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.480 -6.316 -7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.675 -5.193 -7.250 1.00 0.00 H new ATOM 0 HG LEU A 35 4.860 -7.816 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.162 -8.442 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.193 -7.994 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.377 -6.845 -7.345 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.694 -7.323 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.961 -5.749 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.441 -6.063 -4.261 1.00 0.00 H new ATOM 293 N GLN A 36 3.501 -3.346 -7.830 1.00 0.00 N ATOM 294 CA GLN A 36 3.593 -1.963 -8.313 1.00 0.00 C ATOM 295 C GLN A 36 2.880 -0.929 -7.392 1.00 0.00 C ATOM 296 O GLN A 36 3.520 0.077 -7.137 1.00 0.00 O ATOM 297 CB GLN A 36 3.185 -1.956 -9.799 1.00 0.00 C ATOM 298 CG GLN A 36 3.620 -0.698 -10.595 1.00 0.00 C ATOM 299 CD GLN A 36 3.059 0.669 -10.178 1.00 0.00 C ATOM 300 OE1 GLN A 36 3.782 1.652 -10.051 1.00 0.00 O ATOM 301 NE2 GLN A 36 1.778 0.784 -9.946 1.00 0.00 N ATOM 0 H GLN A 36 3.091 -4.000 -8.497 1.00 0.00 H new ATOM 0 HA GLN A 36 4.621 -1.605 -8.256 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.610 -2.837 -10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.101 -2.050 -9.863 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.707 -0.637 -10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.354 -0.860 -11.640 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.166 -0.026 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.390 1.684 -9.663 1.00 0.00 H new ATOM 302 N ILE A 37 1.691 -1.163 -6.804 1.00 0.00 N ATOM 303 CA ILE A 37 1.186 -0.319 -5.691 1.00 0.00 C ATOM 304 C ILE A 37 1.926 -0.463 -4.325 1.00 0.00 C ATOM 305 O ILE A 37 1.794 0.459 -3.567 1.00 0.00 O ATOM 306 CB ILE A 37 -0.365 -0.429 -5.476 1.00 0.00 C ATOM 307 CG1 ILE A 37 -0.975 0.910 -4.922 1.00 0.00 C ATOM 308 CG2 ILE A 37 -0.702 -1.683 -4.628 1.00 0.00 C ATOM 309 CD1 ILE A 37 -1.612 0.927 -3.513 1.00 0.00 C ATOM 0 H ILE A 37 1.064 -1.921 -7.074 1.00 0.00 H new ATOM 0 HA ILE A 37 1.424 0.682 -6.051 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.850 -0.572 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.183 1.659 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.736 1.240 -5.629 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.781 -1.747 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.350 -2.576 -5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.212 -1.608 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.981 1.929 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.440 0.219 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.864 0.645 -2.772 1.00 0.00 H new ATOM 310 N VAL A 38 2.500 -1.588 -3.902 1.00 0.00 N ATOM 311 CA VAL A 38 3.274 -1.755 -2.626 1.00 0.00 C ATOM 312 C VAL A 38 4.715 -1.126 -2.721 1.00 0.00 C ATOM 313 O VAL A 38 5.133 -0.361 -1.851 1.00 0.00 O ATOM 314 CB VAL A 38 3.390 -3.294 -2.365 1.00 0.00 C ATOM 315 CG1 VAL A 38 4.551 -3.935 -1.576 1.00 0.00 C ATOM 316 CG2 VAL A 38 2.088 -3.881 -1.784 1.00 0.00 C ATOM 0 H VAL A 38 2.450 -2.452 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 38 2.758 -1.240 -1.816 1.00 0.00 H new ATOM 0 HB VAL A 38 3.627 -3.561 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.408 -5.015 -1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.495 -3.715 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.572 -3.529 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.213 -4.951 -1.619 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.859 -3.392 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.270 -3.716 -2.485 1.00 0.00 H new ATOM 317 N GLN A 39 5.467 -1.466 -3.800 1.00 0.00 N ATOM 318 CA GLN A 39 6.553 -0.625 -4.366 1.00 0.00 C ATOM 319 C GLN A 39 6.154 0.857 -4.526 1.00 0.00 C ATOM 320 O GLN A 39 6.902 1.687 -4.017 1.00 0.00 O ATOM 321 CB GLN A 39 6.979 -1.169 -5.765 1.00 0.00 C ATOM 322 CG GLN A 39 7.759 -2.507 -5.786 1.00 0.00 C ATOM 323 CD GLN A 39 8.084 -3.171 -7.132 1.00 0.00 C ATOM 324 OE1 GLN A 39 8.294 -4.375 -7.209 1.00 0.00 O ATOM 325 NE2 GLN A 39 8.183 -2.459 -8.226 1.00 0.00 N ATOM 0 H GLN A 39 5.334 -2.341 -4.306 1.00 0.00 H new ATOM 0 HA GLN A 39 7.377 -0.677 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.081 -1.290 -6.370 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.592 -0.411 -6.252 1.00 0.00 H new ATOM 0 HG2 GLN A 39 8.703 -2.343 -5.266 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.191 -3.226 -5.196 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.015 -1.453 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.429 -2.910 -9.107 1.00 0.00 H new ATOM 326 N ASP A 40 4.964 1.203 -5.098 1.00 0.00 N ATOM 327 CA ASP A 40 4.323 2.528 -4.861 1.00 0.00 C ATOM 328 C ASP A 40 4.316 2.861 -3.366 1.00 0.00 C ATOM 329 O ASP A 40 5.078 3.697 -2.903 1.00 0.00 O ATOM 330 CB ASP A 40 2.979 2.937 -5.533 1.00 0.00 C ATOM 331 CG ASP A 40 2.818 2.850 -7.043 1.00 0.00 C ATOM 332 OD1 ASP A 40 4.001 2.749 -7.701 1.00 0.00 O ATOM 333 OD2 ASP A 40 1.723 2.828 -7.594 1.00 0.00 O ATOM 0 H ASP A 40 4.436 0.590 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 40 4.993 3.153 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.196 2.322 -5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.775 3.969 -5.246 1.00 0.00 H new ATOM 334 N ALA A 41 3.556 2.108 -2.591 1.00 0.00 N ATOM 335 CA ALA A 41 2.989 2.598 -1.346 1.00 0.00 C ATOM 336 C ALA A 41 3.988 2.940 -0.201 1.00 0.00 C ATOM 337 O ALA A 41 3.793 3.943 0.495 1.00 0.00 O ATOM 338 CB ALA A 41 1.773 1.687 -1.075 1.00 0.00 C ATOM 0 H ALA A 41 3.314 1.141 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 41 2.635 3.626 -1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.288 1.993 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.065 1.770 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.106 0.653 -0.986 1.00 0.00 H new ATOM 566 N PRO B 5 -8.647 -14.925 0.374 1.00 0.00 N ATOM 567 CA PRO B 5 -7.963 -15.899 -0.515 1.00 0.00 C ATOM 568 C PRO B 5 -6.415 -15.812 -0.504 1.00 0.00 C ATOM 569 O PRO B 5 -5.812 -14.735 -0.430 1.00 0.00 O ATOM 570 CB PRO B 5 -8.589 -15.604 -1.900 1.00 0.00 C ATOM 571 CG PRO B 5 -9.741 -14.636 -1.620 1.00 0.00 C ATOM 572 CD PRO B 5 -9.253 -13.846 -0.427 1.00 0.00 C ATOM 0 HA PRO B 5 -8.115 -16.927 -0.186 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -7.858 -15.161 -2.577 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -8.948 -16.518 -2.373 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -9.940 -13.990 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -10.667 -15.167 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -8.530 -13.079 -0.704 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -10.065 -13.344 0.099 1.00 0.00 H new ATOM 573 N HIS B 6 -5.806 -16.991 -0.636 1.00 0.00 N ATOM 574 CA HIS B 6 -4.339 -17.159 -0.716 1.00 0.00 C ATOM 575 C HIS B 6 -3.799 -16.834 -2.148 1.00 0.00 C ATOM 576 O HIS B 6 -4.200 -17.482 -3.124 1.00 0.00 O ATOM 577 CB HIS B 6 -4.000 -18.647 -0.380 1.00 0.00 C ATOM 578 CG HIS B 6 -4.350 -19.170 1.012 1.00 0.00 C ATOM 579 ND1 HIS B 6 -5.632 -19.539 1.390 1.00 0.00 N ATOM 580 CD2 HIS B 6 -3.467 -19.267 2.095 1.00 0.00 C ATOM 581 CE1 HIS B 6 -5.409 -19.786 2.719 1.00 0.00 C ATOM 582 NE2 HIS B 6 -4.137 -19.711 3.224 1.00 0.00 N ATOM 0 H HIS B 6 -6.316 -17.872 -0.692 1.00 0.00 H new ATOM 0 HA HIS B 6 -3.870 -16.471 -0.012 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -4.508 -19.277 -1.110 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -2.929 -18.786 -0.529 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -2.414 -19.030 2.056 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -6.234 -20.039 3.368 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -3.786 -19.921 4.158 1.00 0.00 H new ATOM 583 N PHE B 7 -2.805 -15.944 -2.290 1.00 0.00 N ATOM 584 CA PHE B 7 -1.796 -16.101 -3.370 1.00 0.00 C ATOM 585 C PHE B 7 -0.354 -15.937 -2.796 1.00 0.00 C ATOM 586 O PHE B 7 -0.103 -15.240 -1.805 1.00 0.00 O ATOM 587 CB PHE B 7 -2.161 -15.262 -4.632 1.00 0.00 C ATOM 588 CG PHE B 7 -1.671 -13.811 -4.716 1.00 0.00 C ATOM 589 CD1 PHE B 7 -0.393 -13.543 -5.223 1.00 0.00 C ATOM 590 CD2 PHE B 7 -2.477 -12.738 -4.321 1.00 0.00 C ATOM 591 CE1 PHE B 7 0.071 -12.247 -5.298 1.00 0.00 C ATOM 592 CE2 PHE B 7 -2.030 -11.440 -4.469 1.00 0.00 C ATOM 593 CZ PHE B 7 -0.758 -11.187 -4.971 1.00 0.00 C ATOM 0 H PHE B 7 -2.672 -15.127 -1.694 1.00 0.00 H new ATOM 0 HA PHE B 7 -1.811 -17.120 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -1.778 -15.792 -5.504 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.247 -15.250 -4.719 1.00 0.00 H new ATOM 0 HD1 PHE B 7 0.233 -14.357 -5.557 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -3.453 -12.926 -3.898 1.00 0.00 H new ATOM 0 HE1 PHE B 7 1.086 -12.057 -5.613 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.672 -10.616 -4.193 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.419 -10.170 -5.105 1.00 0.00 H new ATOM 594 N ASN B 8 0.620 -16.564 -3.460 1.00 0.00 N ATOM 595 CA ASN B 8 2.058 -16.374 -3.146 1.00 0.00 C ATOM 596 C ASN B 8 2.613 -14.962 -3.545 1.00 0.00 C ATOM 597 O ASN B 8 3.322 -14.831 -4.548 1.00 0.00 O ATOM 598 CB ASN B 8 2.836 -17.612 -3.683 1.00 0.00 C ATOM 599 CG ASN B 8 2.776 -17.951 -5.183 1.00 0.00 C ATOM 600 OD1 ASN B 8 1.990 -17.436 -5.969 1.00 0.00 O ATOM 601 ND2 ASN B 8 3.574 -18.886 -5.626 1.00 0.00 N ATOM 0 H ASN B 8 0.447 -17.215 -4.226 1.00 0.00 H new ATOM 0 HA ASN B 8 2.212 -16.344 -2.067 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.885 -17.478 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.479 -18.485 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN B 8 3.533 -19.170 -6.605 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.238 -19.332 -4.993 1.00 0.00 H new ATOM 602 N PHE B 9 2.320 -13.898 -2.751 1.00 0.00 N ATOM 603 CA PHE B 9 2.996 -12.605 -2.903 1.00 0.00 C ATOM 604 C PHE B 9 4.454 -12.693 -2.361 1.00 0.00 C ATOM 605 O PHE B 9 4.872 -13.466 -1.504 1.00 0.00 O ATOM 606 CB PHE B 9 2.138 -11.460 -2.305 1.00 0.00 C ATOM 607 CG PHE B 9 2.534 -10.067 -2.826 1.00 0.00 C ATOM 608 CD1 PHE B 9 2.493 -9.773 -4.195 1.00 0.00 C ATOM 609 CD2 PHE B 9 2.908 -9.048 -1.947 1.00 0.00 C ATOM 610 CE1 PHE B 9 2.802 -8.515 -4.661 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.287 -7.801 -2.417 1.00 0.00 C ATOM 612 CZ PHE B 9 3.142 -7.527 -3.757 1.00 0.00 C ATOM 0 H PHE B 9 1.623 -13.921 -2.007 1.00 0.00 H new ATOM 0 HA PHE B 9 3.095 -12.353 -3.959 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.089 -11.642 -2.537 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.231 -11.474 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.214 -10.546 -4.896 1.00 0.00 H new ATOM 0 HD2 PHE B 9 2.902 -9.235 -0.883 1.00 0.00 H new ATOM 0 HE1 PHE B 9 2.779 -8.303 -5.720 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.689 -7.058 -1.744 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.297 -6.518 -4.110 1.00 0.00 H new ATOM 613 N ARG B 10 5.259 -11.947 -3.054 1.00 0.00 N ATOM 614 CA ARG B 10 6.584 -12.357 -3.511 1.00 0.00 C ATOM 615 C ARG B 10 7.194 -11.090 -4.137 1.00 0.00 C ATOM 616 O ARG B 10 6.567 -10.412 -4.968 1.00 0.00 O ATOM 617 CB ARG B 10 6.527 -13.509 -4.539 1.00 0.00 C ATOM 618 CG ARG B 10 7.919 -13.872 -5.126 1.00 0.00 C ATOM 619 CD ARG B 10 7.972 -13.749 -6.647 1.00 0.00 C ATOM 620 NE ARG B 10 7.871 -12.346 -7.127 1.00 0.00 N ATOM 621 CZ ARG B 10 7.875 -11.958 -8.393 1.00 0.00 C ATOM 622 NH1 ARG B 10 8.010 -12.759 -9.405 1.00 0.00 N ATOM 623 NH2 ARG B 10 7.727 -10.704 -8.622 1.00 0.00 N ATOM 0 H ARG B 10 5.017 -10.997 -3.336 1.00 0.00 H new ATOM 0 HA ARG B 10 7.180 -12.747 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG B 10 6.099 -14.391 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG B 10 5.858 -13.229 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG B 10 8.674 -13.220 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG B 10 8.174 -14.892 -4.840 1.00 0.00 H new ATOM 0 HD2 ARG B 10 8.905 -14.183 -7.007 1.00 0.00 H new ATOM 0 HD3 ARG B 10 7.160 -14.333 -7.080 1.00 0.00 H new ATOM 0 HE ARG B 10 7.792 -11.617 -6.418 1.00 0.00 H new ATOM 0 HH11 ARG B 10 8.123 -13.761 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG B 10 8.003 -12.387 -10.355 1.00 0.00 H new ATOM 0 HH21 ARG B 10 7.613 -10.054 -7.845 1.00 0.00 H new ATOM 0 HH22 ARG B 10 7.723 -10.358 -9.581 1.00 0.00 H new ATOM 624 N MET B 11 8.401 -10.747 -3.689 1.00 0.00 N ATOM 625 CA MET B 11 8.868 -9.358 -3.874 1.00 0.00 C ATOM 626 C MET B 11 10.390 -9.242 -4.191 1.00 0.00 C ATOM 627 O MET B 11 11.176 -9.766 -3.394 1.00 0.00 O ATOM 628 CB MET B 11 8.472 -8.493 -2.653 1.00 0.00 C ATOM 629 CG MET B 11 7.069 -8.590 -2.008 1.00 0.00 C ATOM 630 SD MET B 11 6.947 -10.079 -0.996 1.00 0.00 S ATOM 631 CE MET B 11 5.423 -9.759 -0.108 1.00 0.00 C ATOM 0 H MET B 11 9.053 -11.372 -3.216 1.00 0.00 H new ATOM 0 HA MET B 11 8.364 -8.975 -4.761 1.00 0.00 H new ATOM 0 HB2 MET B 11 9.196 -8.706 -1.867 1.00 0.00 H new ATOM 0 HB3 MET B 11 8.614 -7.452 -2.944 1.00 0.00 H new ATOM 0 HG2 MET B 11 6.882 -7.709 -1.395 1.00 0.00 H new ATOM 0 HG3 MET B 11 6.304 -8.606 -2.785 1.00 0.00 H new ATOM 0 HE1 MET B 11 5.601 -9.847 0.964 1.00 0.00 H new ATOM 0 HE2 MET B 11 5.073 -8.752 -0.336 1.00 0.00 H new ATOM 0 HE3 MET B 11 4.667 -10.483 -0.411 1.00 0.00 H new ATOM 632 N PRO B 12 10.875 -8.507 -5.248 1.00 0.00 N ATOM 633 CA PRO B 12 12.304 -8.102 -5.373 1.00 0.00 C ATOM 634 C PRO B 12 12.981 -7.581 -4.074 1.00 0.00 C ATOM 635 O PRO B 12 12.310 -6.996 -3.210 1.00 0.00 O ATOM 636 CB PRO B 12 12.243 -7.030 -6.479 1.00 0.00 C ATOM 637 CG PRO B 12 11.049 -7.430 -7.343 1.00 0.00 C ATOM 638 CD PRO B 12 10.039 -7.986 -6.344 1.00 0.00 C ATOM 0 HA PRO B 12 12.939 -8.958 -5.601 1.00 0.00 H new ATOM 0 HB2 PRO B 12 12.110 -6.034 -6.057 1.00 0.00 H new ATOM 0 HB3 PRO B 12 13.164 -7.010 -7.062 1.00 0.00 H new ATOM 0 HG2 PRO B 12 10.645 -6.575 -7.885 1.00 0.00 H new ATOM 0 HG3 PRO B 12 11.327 -8.177 -8.087 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.357 -7.212 -5.993 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.428 -8.772 -6.789 1.00 0.00 H new ATOM 639 N MET B 13 14.285 -7.855 -3.908 1.00 0.00 N ATOM 640 CA MET B 13 14.926 -7.812 -2.564 1.00 0.00 C ATOM 641 C MET B 13 14.711 -6.513 -1.708 1.00 0.00 C ATOM 642 O MET B 13 14.523 -6.599 -0.498 1.00 0.00 O ATOM 643 CB MET B 13 16.435 -8.166 -2.667 1.00 0.00 C ATOM 644 CG MET B 13 17.139 -8.514 -1.329 1.00 0.00 C ATOM 645 SD MET B 13 16.903 -10.222 -0.776 1.00 0.00 S ATOM 646 CE MET B 13 15.218 -10.278 -0.133 1.00 0.00 C ATOM 0 H MET B 13 14.916 -8.106 -4.669 1.00 0.00 H new ATOM 0 HA MET B 13 14.387 -8.573 -1.999 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.545 -9.013 -3.345 1.00 0.00 H new ATOM 0 HB3 MET B 13 16.956 -7.324 -3.122 1.00 0.00 H new ATOM 0 HG2 MET B 13 18.207 -8.325 -1.435 1.00 0.00 H new ATOM 0 HG3 MET B 13 16.772 -7.841 -0.554 1.00 0.00 H new ATOM 0 HE1 MET B 13 15.172 -10.972 0.706 1.00 0.00 H new ATOM 0 HE2 MET B 13 14.923 -9.284 0.202 1.00 0.00 H new ATOM 0 HE3 MET B 13 14.540 -10.612 -0.918 1.00 0.00 H new ATOM 647 N GLU B 14 14.674 -5.334 -2.349 1.00 0.00 N ATOM 648 CA GLU B 14 14.276 -4.067 -1.695 1.00 0.00 C ATOM 649 C GLU B 14 12.794 -3.984 -1.178 1.00 0.00 C ATOM 650 O GLU B 14 12.633 -3.648 -0.014 1.00 0.00 O ATOM 651 CB GLU B 14 14.767 -2.896 -2.595 1.00 0.00 C ATOM 652 CG GLU B 14 13.841 -2.535 -3.784 1.00 0.00 C ATOM 653 CD GLU B 14 14.407 -1.504 -4.752 1.00 0.00 C ATOM 654 OE1 GLU B 14 15.105 -1.799 -5.716 1.00 0.00 O ATOM 655 OE2 GLU B 14 14.036 -0.233 -4.426 1.00 0.00 O ATOM 0 H GLU B 14 14.918 -5.227 -3.334 1.00 0.00 H new ATOM 0 HA GLU B 14 14.777 -3.996 -0.729 1.00 0.00 H new ATOM 0 HB2 GLU B 14 14.892 -2.010 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU B 14 15.751 -3.151 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU B 14 13.615 -3.446 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU B 14 12.897 -2.160 -3.389 1.00 0.00 H new ATOM 656 N VAL B 15 11.722 -4.283 -1.944 1.00 0.00 N ATOM 657 CA VAL B 15 10.314 -4.380 -1.416 1.00 0.00 C ATOM 658 C VAL B 15 10.200 -5.396 -0.254 1.00 0.00 C ATOM 659 O VAL B 15 9.623 -5.055 0.757 1.00 0.00 O ATOM 660 CB VAL B 15 9.252 -4.740 -2.513 1.00 0.00 C ATOM 661 CG1 VAL B 15 7.992 -3.860 -2.455 1.00 0.00 C ATOM 662 CG2 VAL B 15 9.712 -4.830 -3.989 1.00 0.00 C ATOM 0 H VAL B 15 11.792 -4.466 -2.945 1.00 0.00 H new ATOM 0 HA VAL B 15 10.090 -3.378 -1.051 1.00 0.00 H new ATOM 0 HB VAL B 15 9.038 -5.766 -2.215 1.00 0.00 H new ATOM 0 HG11 VAL B 15 7.300 -4.163 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL B 15 7.511 -3.976 -1.484 1.00 0.00 H new ATOM 0 HG13 VAL B 15 8.270 -2.816 -2.599 1.00 0.00 H new ATOM 0 HG21 VAL B 15 8.861 -5.087 -4.620 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.119 -3.869 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.480 -5.598 -4.085 1.00 0.00 H new ATOM 663 N ARG B 16 10.701 -6.625 -0.377 1.00 0.00 N ATOM 664 CA ARG B 16 10.719 -7.581 0.745 1.00 0.00 C ATOM 665 C ARG B 16 11.690 -7.288 1.910 1.00 0.00 C ATOM 666 O ARG B 16 11.357 -7.682 3.011 1.00 0.00 O ATOM 667 CB ARG B 16 10.904 -9.007 0.176 1.00 0.00 C ATOM 668 CG ARG B 16 9.737 -9.943 0.565 1.00 0.00 C ATOM 669 CD ARG B 16 10.158 -10.925 1.660 1.00 0.00 C ATOM 670 NE ARG B 16 9.246 -12.092 1.642 1.00 0.00 N ATOM 671 CZ ARG B 16 9.553 -13.279 2.158 1.00 0.00 C ATOM 672 NH1 ARG B 16 10.614 -13.536 2.867 1.00 0.00 N ATOM 673 NH2 ARG B 16 8.759 -14.251 1.928 1.00 0.00 N ATOM 0 H ARG B 16 11.102 -6.988 -1.242 1.00 0.00 H new ATOM 0 HA ARG B 16 9.753 -7.471 1.237 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.981 -8.956 -0.910 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.841 -9.425 0.543 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.891 -9.349 0.911 1.00 0.00 H new ATOM 0 HG3 ARG B 16 9.402 -10.495 -0.313 1.00 0.00 H new ATOM 0 HD2 ARG B 16 11.186 -11.249 1.499 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.126 -10.438 2.635 1.00 0.00 H new ATOM 0 HE ARG B 16 8.329 -11.979 1.209 1.00 0.00 H new ATOM 0 HH11 ARG B 16 11.287 -12.796 3.064 1.00 0.00 H new ATOM 0 HH12 ARG B 16 10.772 -14.478 3.225 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.922 -14.103 1.365 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.962 -15.176 2.307 1.00 0.00 H new ATOM 674 N GLU B 17 12.797 -6.561 1.773 1.00 0.00 N ATOM 675 CA GLU B 17 13.383 -5.844 2.943 1.00 0.00 C ATOM 676 C GLU B 17 12.516 -4.645 3.454 1.00 0.00 C ATOM 677 O GLU B 17 12.386 -4.483 4.655 1.00 0.00 O ATOM 678 CB GLU B 17 14.815 -5.379 2.603 1.00 0.00 C ATOM 679 CG GLU B 17 15.889 -6.494 2.555 1.00 0.00 C ATOM 680 CD GLU B 17 17.287 -5.974 2.243 1.00 0.00 C ATOM 681 OE1 GLU B 17 17.956 -5.585 3.361 1.00 0.00 O ATOM 682 OE2 GLU B 17 17.760 -5.909 1.114 1.00 0.00 O ATOM 0 H GLU B 17 13.307 -6.444 0.897 1.00 0.00 H new ATOM 0 HA GLU B 17 13.406 -6.557 3.767 1.00 0.00 H new ATOM 0 HB2 GLU B 17 14.794 -4.878 1.635 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.121 -4.637 3.340 1.00 0.00 H new ATOM 0 HG2 GLU B 17 15.908 -7.012 3.514 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.606 -7.229 1.801 1.00 0.00 H new ATOM 683 N LYS B 18 11.902 -3.817 2.607 1.00 0.00 N ATOM 684 CA LYS B 18 11.053 -2.675 3.038 1.00 0.00 C ATOM 685 C LYS B 18 9.667 -3.054 3.653 1.00 0.00 C ATOM 686 O LYS B 18 9.371 -2.596 4.755 1.00 0.00 O ATOM 687 CB LYS B 18 11.053 -1.620 1.916 1.00 0.00 C ATOM 688 CG LYS B 18 12.398 -0.918 1.580 1.00 0.00 C ATOM 689 CD LYS B 18 12.361 0.039 0.365 1.00 0.00 C ATOM 690 CE LYS B 18 12.231 -0.627 -1.008 1.00 0.00 C ATOM 691 NZ LYS B 18 12.394 0.378 -2.074 1.00 0.00 N ATOM 0 H LYS B 18 11.972 -3.910 1.594 1.00 0.00 H new ATOM 0 HA LYS B 18 11.499 -2.215 3.920 1.00 0.00 H new ATOM 0 HB2 LYS B 18 10.689 -2.098 1.007 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.330 -0.849 2.182 1.00 0.00 H new ATOM 0 HG2 LYS B 18 12.723 -0.355 2.455 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.152 -1.683 1.395 1.00 0.00 H new ATOM 0 HD2 LYS B 18 11.525 0.727 0.494 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.271 0.639 0.372 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.984 -1.408 -1.115 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.257 -1.109 -1.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 12.997 -0.010 -2.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 11.462 0.621 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 12.837 1.233 -1.681 1.00 0.00 H new ATOM 692 N LEU B 19 8.873 -3.943 3.034 1.00 0.00 N ATOM 693 CA LEU B 19 7.795 -4.699 3.693 1.00 0.00 C ATOM 694 C LEU B 19 8.261 -5.535 4.933 1.00 0.00 C ATOM 695 O LEU B 19 7.687 -5.381 6.004 1.00 0.00 O ATOM 696 CB LEU B 19 7.095 -5.524 2.581 1.00 0.00 C ATOM 697 CG LEU B 19 5.929 -4.950 1.745 1.00 0.00 C ATOM 698 CD1 LEU B 19 5.486 -6.071 0.782 1.00 0.00 C ATOM 699 CD2 LEU B 19 4.699 -4.539 2.585 1.00 0.00 C ATOM 0 H LEU B 19 8.964 -4.161 2.042 1.00 0.00 H new ATOM 0 HA LEU B 19 7.080 -4.017 4.153 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.871 -5.822 1.875 1.00 0.00 H new ATOM 0 HB3 LEU B 19 6.725 -6.435 3.051 1.00 0.00 H new ATOM 0 HG LEU B 19 6.285 -4.049 1.246 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.660 -5.716 0.165 1.00 0.00 H new ATOM 0 HD12 LEU B 19 6.322 -6.352 0.142 1.00 0.00 H new ATOM 0 HD13 LEU B 19 5.162 -6.938 1.358 1.00 0.00 H new ATOM 0 HD21 LEU B 19 3.924 -4.146 1.927 1.00 0.00 H new ATOM 0 HD22 LEU B 19 4.315 -5.409 3.118 1.00 0.00 H new ATOM 0 HD23 LEU B 19 4.989 -3.772 3.303 1.00 0.00 H new ATOM 700 N LYS B 20 9.262 -6.423 4.843 1.00 0.00 N ATOM 701 CA LYS B 20 9.622 -7.327 5.957 1.00 0.00 C ATOM 702 C LYS B 20 10.472 -6.650 7.093 1.00 0.00 C ATOM 703 O LYS B 20 10.475 -7.174 8.197 1.00 0.00 O ATOM 704 CB LYS B 20 10.313 -8.585 5.412 1.00 0.00 C ATOM 705 CG LYS B 20 10.311 -9.844 6.295 1.00 0.00 C ATOM 706 CD LYS B 20 11.055 -11.060 5.690 1.00 0.00 C ATOM 707 CE LYS B 20 12.319 -10.738 4.874 1.00 0.00 C ATOM 708 NZ LYS B 20 13.090 -11.961 4.581 1.00 0.00 N ATOM 0 H LYS B 20 9.840 -6.538 4.011 1.00 0.00 H new ATOM 0 HA LYS B 20 8.685 -7.606 6.440 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.842 -8.841 4.463 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.350 -8.330 5.195 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.765 -9.599 7.255 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.278 -10.130 6.494 1.00 0.00 H new ATOM 0 HD2 LYS B 20 11.332 -11.732 6.502 1.00 0.00 H new ATOM 0 HD3 LYS B 20 10.361 -11.603 5.049 1.00 0.00 H new ATOM 0 HE2 LYS B 20 12.038 -10.250 3.941 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.943 -10.035 5.427 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 14.063 -11.850 4.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.643 -12.774 5.051 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 13.108 -12.122 3.554 1.00 0.00 H new ATOM 709 N PHE B 21 11.176 -5.517 6.873 1.00 0.00 N ATOM 710 CA PHE B 21 11.566 -4.564 7.949 1.00 0.00 C ATOM 711 C PHE B 21 10.348 -3.846 8.517 1.00 0.00 C ATOM 712 O PHE B 21 10.040 -4.215 9.628 1.00 0.00 O ATOM 713 CB PHE B 21 12.627 -3.509 7.539 1.00 0.00 C ATOM 714 CG PHE B 21 14.042 -4.015 7.324 1.00 0.00 C ATOM 715 CD1 PHE B 21 14.614 -5.017 8.113 1.00 0.00 C ATOM 716 CD2 PHE B 21 14.766 -3.469 6.269 1.00 0.00 C ATOM 717 CE1 PHE B 21 15.852 -5.537 7.778 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.010 -3.978 5.940 1.00 0.00 C ATOM 719 CZ PHE B 21 16.559 -5.024 6.687 1.00 0.00 C ATOM 0 H PHE B 21 11.492 -5.233 5.946 1.00 0.00 H new ATOM 0 HA PHE B 21 12.031 -5.195 8.706 1.00 0.00 H new ATOM 0 HB2 PHE B 21 12.293 -3.030 6.619 1.00 0.00 H new ATOM 0 HB3 PHE B 21 12.655 -2.737 8.308 1.00 0.00 H new ATOM 0 HD1 PHE B 21 14.090 -5.385 8.983 1.00 0.00 H new ATOM 0 HD2 PHE B 21 14.356 -2.645 5.705 1.00 0.00 H new ATOM 0 HE1 PHE B 21 16.273 -6.342 8.362 1.00 0.00 H new ATOM 0 HE2 PHE B 21 16.557 -3.566 5.105 1.00 0.00 H new ATOM 0 HZ PHE B 21 17.523 -5.433 6.423 1.00 0.00 H new ATOM 720 N ARG B 22 9.592 -2.939 7.878 1.00 0.00 N ATOM 721 CA ARG B 22 8.211 -2.562 8.350 1.00 0.00 C ATOM 722 C ARG B 22 7.472 -3.650 9.260 1.00 0.00 C ATOM 723 O ARG B 22 7.245 -3.415 10.448 1.00 0.00 O ATOM 724 CB ARG B 22 7.515 -2.064 7.047 1.00 0.00 C ATOM 725 CG ARG B 22 6.098 -1.455 7.155 1.00 0.00 C ATOM 726 CD ARG B 22 6.005 0.035 7.501 1.00 0.00 C ATOM 727 NE ARG B 22 6.220 0.843 6.272 1.00 0.00 N ATOM 728 CZ ARG B 22 6.651 2.099 6.257 1.00 0.00 C ATOM 729 NH1 ARG B 22 6.901 2.807 7.318 1.00 0.00 N ATOM 730 NH2 ARG B 22 6.838 2.649 5.112 1.00 0.00 N ATOM 0 H ARG B 22 9.893 -2.445 7.038 1.00 0.00 H new ATOM 0 HA ARG B 22 8.201 -1.772 9.100 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.163 -1.317 6.590 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.462 -2.906 6.357 1.00 0.00 H new ATOM 0 HG2 ARG B 22 5.588 -1.615 6.205 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.546 -2.013 7.911 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.029 0.259 7.931 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.751 0.292 8.253 1.00 0.00 H new ATOM 0 HE ARG B 22 6.022 0.400 5.375 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.768 2.402 8.245 1.00 0.00 H new ATOM 0 HH12 ARG B 22 7.230 3.768 7.224 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.656 2.123 4.258 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.169 3.612 5.057 1.00 0.00 H new ATOM 731 N ALA B 23 7.432 -4.930 8.819 1.00 0.00 N ATOM 732 CA ALA B 23 7.163 -6.100 9.695 1.00 0.00 C ATOM 733 C ALA B 23 8.172 -6.345 10.888 1.00 0.00 C ATOM 734 O ALA B 23 7.849 -6.038 12.034 1.00 0.00 O ATOM 735 CB ALA B 23 6.876 -7.288 8.737 1.00 0.00 C ATOM 0 H ALA B 23 7.586 -5.183 7.843 1.00 0.00 H new ATOM 0 HA ALA B 23 6.288 -5.917 10.319 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.669 -8.185 9.321 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.012 -7.053 8.115 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.745 -7.461 8.102 1.00 0.00 H new ATOM 736 N GLU B 24 9.377 -6.870 10.646 1.00 0.00 N ATOM 737 CA GLU B 24 10.398 -7.198 11.695 1.00 0.00 C ATOM 738 C GLU B 24 11.143 -6.020 12.427 1.00 0.00 C ATOM 739 O GLU B 24 11.437 -6.124 13.618 1.00 0.00 O ATOM 740 CB GLU B 24 11.416 -8.207 11.083 1.00 0.00 C ATOM 741 CG GLU B 24 10.871 -9.557 10.524 1.00 0.00 C ATOM 742 CD GLU B 24 10.005 -10.408 11.453 1.00 0.00 C ATOM 743 OE1 GLU B 24 10.655 -10.758 12.595 1.00 0.00 O ATOM 744 OE2 GLU B 24 8.857 -10.755 11.190 1.00 0.00 O ATOM 0 H GLU B 24 9.695 -7.090 9.702 1.00 0.00 H new ATOM 0 HA GLU B 24 9.815 -7.616 12.515 1.00 0.00 H new ATOM 0 HB2 GLU B 24 11.942 -7.700 10.274 1.00 0.00 H new ATOM 0 HB3 GLU B 24 12.156 -8.438 11.849 1.00 0.00 H new ATOM 0 HG2 GLU B 24 10.290 -9.340 9.628 1.00 0.00 H new ATOM 0 HG3 GLU B 24 11.723 -10.161 10.212 1.00 0.00 H new ATOM 745 N ALA B 25 11.433 -4.910 11.732 1.00 0.00 N ATOM 746 CA ALA B 25 11.643 -3.563 12.330 1.00 0.00 C ATOM 747 C ALA B 25 10.594 -3.125 13.435 1.00 0.00 C ATOM 748 O ALA B 25 11.011 -2.685 14.507 1.00 0.00 O ATOM 749 CB ALA B 25 11.641 -2.495 11.209 1.00 0.00 C ATOM 0 H ALA B 25 11.532 -4.913 10.717 1.00 0.00 H new ATOM 0 HA ALA B 25 12.603 -3.636 12.842 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.795 -1.508 11.646 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.443 -2.708 10.502 1.00 0.00 H new ATOM 0 HB3 ALA B 25 10.684 -2.516 10.688 1.00 0.00 H new ATOM 750 N ASN B 26 9.256 -3.228 13.182 1.00 0.00 N ATOM 751 CA ASN B 26 8.217 -2.906 14.217 1.00 0.00 C ATOM 752 C ASN B 26 7.874 -4.038 15.255 1.00 0.00 C ATOM 753 O ASN B 26 7.619 -3.744 16.425 1.00 0.00 O ATOM 754 CB ASN B 26 6.892 -2.508 13.507 1.00 0.00 C ATOM 755 CG ASN B 26 6.883 -1.245 12.649 1.00 0.00 C ATOM 756 OD1 ASN B 26 6.016 -1.217 11.680 1.00 0.00 O flip ATOM 757 ND2 ASN B 26 7.596 -0.265 12.836 1.00 0.00 N flip ATOM 0 H ASN B 26 8.872 -3.527 12.285 1.00 0.00 H new ATOM 0 HA ASN B 26 8.667 -2.099 14.796 1.00 0.00 H new ATOM 0 HB2 ASN B 26 6.590 -3.342 12.874 1.00 0.00 H new ATOM 0 HB3 ASN B 26 6.125 -2.395 14.273 1.00 0.00 H new ATOM 0 HD21 ASN B 26 8.281 -0.270 13.591 1.00 0.00 H new ATOM 0 HD22 ASN B 26 7.504 0.555 12.236 1.00 0.00 H new ATOM 758 N GLY B 27 7.728 -5.291 14.799 1.00 0.00 N ATOM 759 CA GLY B 27 6.871 -6.321 15.472 1.00 0.00 C ATOM 760 C GLY B 27 5.515 -6.700 14.798 1.00 0.00 C ATOM 761 O GLY B 27 4.574 -7.097 15.484 1.00 0.00 O ATOM 0 H GLY B 27 8.192 -5.634 13.958 1.00 0.00 H new ATOM 0 HA2 GLY B 27 7.461 -7.232 15.572 1.00 0.00 H new ATOM 0 HA3 GLY B 27 6.656 -5.969 16.481 1.00 0.00 H new ATOM 762 N ARG B 28 5.417 -6.625 13.465 1.00 0.00 N ATOM 763 CA ARG B 28 4.263 -7.110 12.655 1.00 0.00 C ATOM 764 C ARG B 28 4.859 -8.286 11.802 1.00 0.00 C ATOM 765 O ARG B 28 6.049 -8.315 11.481 1.00 0.00 O ATOM 766 CB ARG B 28 3.666 -5.851 11.952 1.00 0.00 C ATOM 767 CG ARG B 28 3.158 -4.717 12.887 1.00 0.00 C ATOM 768 CD ARG B 28 2.411 -3.544 12.229 1.00 0.00 C ATOM 769 NE ARG B 28 3.228 -2.665 11.351 1.00 0.00 N ATOM 770 CZ ARG B 28 2.877 -2.260 10.137 1.00 0.00 C ATOM 771 NH1 ARG B 28 1.814 -2.643 9.508 1.00 0.00 N ATOM 772 NH2 ARG B 28 3.624 -1.403 9.560 1.00 0.00 N ATOM 0 H ARG B 28 6.154 -6.215 12.891 1.00 0.00 H new ATOM 0 HA ARG B 28 3.398 -7.540 13.160 1.00 0.00 H new ATOM 0 HB2 ARG B 28 4.427 -5.435 11.291 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.837 -6.172 11.321 1.00 0.00 H new ATOM 0 HG2 ARG B 28 2.498 -5.163 13.631 1.00 0.00 H new ATOM 0 HG3 ARG B 28 4.016 -4.312 13.424 1.00 0.00 H new ATOM 0 HD2 ARG B 28 1.587 -3.947 11.641 1.00 0.00 H new ATOM 0 HD3 ARG B 28 1.971 -2.931 13.016 1.00 0.00 H new ATOM 0 HE ARG B 28 4.129 -2.349 11.710 1.00 0.00 H new ATOM 0 HH11 ARG B 28 1.173 -3.305 9.946 1.00 0.00 H new ATOM 0 HH12 ARG B 28 1.616 -2.283 8.574 1.00 0.00 H new ATOM 0 HH21 ARG B 28 4.458 -1.053 10.032 1.00 0.00 H new ATOM 0 HH22 ARG B 28 3.388 -1.067 8.626 1.00 0.00 H new ATOM 773 N SER B 29 4.105 -9.352 11.512 1.00 0.00 N ATOM 774 CA SER B 29 4.704 -10.586 10.887 1.00 0.00 C ATOM 775 C SER B 29 4.107 -10.674 9.473 1.00 0.00 C ATOM 776 O SER B 29 2.888 -10.686 9.407 1.00 0.00 O ATOM 777 CB SER B 29 4.440 -11.823 11.781 1.00 0.00 C ATOM 778 OG SER B 29 3.049 -12.096 11.978 1.00 0.00 O ATOM 0 H SER B 29 3.102 -9.408 11.686 1.00 0.00 H new ATOM 0 HA SER B 29 5.790 -10.544 10.805 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.913 -12.695 11.330 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.913 -11.669 12.751 1.00 0.00 H new ATOM 0 HG SER B 29 2.540 -11.779 11.203 1.00 0.00 H new ATOM 779 N MET B 30 4.843 -10.558 8.348 1.00 0.00 N ATOM 780 CA MET B 30 4.306 -9.827 7.156 1.00 0.00 C ATOM 781 C MET B 30 2.853 -10.128 6.682 1.00 0.00 C ATOM 782 O MET B 30 2.150 -9.167 6.459 1.00 0.00 O ATOM 783 CB MET B 30 5.185 -9.898 5.901 1.00 0.00 C ATOM 784 CG MET B 30 6.566 -9.280 5.893 1.00 0.00 C ATOM 785 SD MET B 30 7.460 -10.008 4.503 1.00 0.00 S ATOM 786 CE MET B 30 7.142 -8.696 3.331 1.00 0.00 C ATOM 0 H MET B 30 5.780 -10.943 8.229 1.00 0.00 H new ATOM 0 HA MET B 30 4.308 -8.833 7.602 1.00 0.00 H new ATOM 0 HB2 MET B 30 5.303 -10.952 5.651 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.623 -9.439 5.088 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.504 -8.197 5.787 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.083 -9.479 6.831 1.00 0.00 H new ATOM 0 HE1 MET B 30 7.058 -9.116 2.329 1.00 0.00 H new ATOM 0 HE2 MET B 30 6.211 -8.192 3.592 1.00 0.00 H new ATOM 0 HE3 MET B 30 7.962 -7.979 3.356 1.00 0.00 H new ATOM 787 N ASN B 31 2.287 -11.338 6.602 1.00 0.00 N ATOM 788 CA ASN B 31 0.792 -11.465 6.496 1.00 0.00 C ATOM 789 C ASN B 31 -0.055 -10.550 7.489 1.00 0.00 C ATOM 790 O ASN B 31 -0.896 -9.793 7.015 1.00 0.00 O ATOM 791 CB ASN B 31 0.392 -12.965 6.467 1.00 0.00 C ATOM 792 CG ASN B 31 -1.071 -13.307 6.159 1.00 0.00 C ATOM 793 OD1 ASN B 31 -1.660 -14.198 6.756 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.707 -12.647 5.226 1.00 0.00 N ATOM 0 H ASN B 31 2.798 -12.221 6.606 1.00 0.00 H new ATOM 0 HA ASN B 31 0.502 -11.029 5.540 1.00 0.00 H new ATOM 0 HB2 ASN B 31 1.016 -13.464 5.726 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.641 -13.397 7.436 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.676 -12.879 5.008 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -1.234 -11.901 4.717 1.00 0.00 H new ATOM 795 N SER B 32 0.303 -10.478 8.782 1.00 0.00 N ATOM 796 CA SER B 32 0.045 -9.292 9.667 1.00 0.00 C ATOM 797 C SER B 32 0.550 -7.868 9.254 1.00 0.00 C ATOM 798 O SER B 32 -0.306 -6.997 9.066 1.00 0.00 O ATOM 799 CB SER B 32 0.368 -9.660 11.134 1.00 0.00 C ATOM 800 OG SER B 32 -0.436 -10.749 11.590 1.00 0.00 O ATOM 0 H SER B 32 0.784 -11.239 9.262 1.00 0.00 H new ATOM 0 HA SER B 32 -1.020 -9.113 9.522 1.00 0.00 H new ATOM 0 HB2 SER B 32 1.422 -9.924 11.220 1.00 0.00 H new ATOM 0 HB3 SER B 32 0.203 -8.792 11.773 1.00 0.00 H new ATOM 0 HG SER B 32 -0.207 -10.958 12.520 1.00 0.00 H new ATOM 801 N GLU B 33 1.859 -7.564 9.104 1.00 0.00 N ATOM 802 CA GLU B 33 2.281 -6.206 8.604 1.00 0.00 C ATOM 803 C GLU B 33 1.736 -5.805 7.215 1.00 0.00 C ATOM 804 O GLU B 33 1.103 -4.766 7.094 1.00 0.00 O ATOM 805 CB GLU B 33 3.799 -6.127 8.470 1.00 0.00 C ATOM 806 CG GLU B 33 4.344 -4.779 7.914 1.00 0.00 C ATOM 807 CD GLU B 33 4.803 -4.751 6.439 1.00 0.00 C ATOM 808 OE1 GLU B 33 5.105 -5.971 5.917 1.00 0.00 O ATOM 809 OE2 GLU B 33 4.844 -3.739 5.764 1.00 0.00 O ATOM 0 H GLU B 33 2.627 -8.203 9.309 1.00 0.00 H new ATOM 0 HA GLU B 33 1.867 -5.532 9.353 1.00 0.00 H new ATOM 0 HB2 GLU B 33 4.244 -6.305 9.449 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.133 -6.933 7.817 1.00 0.00 H new ATOM 0 HG2 GLU B 33 3.567 -4.025 8.039 1.00 0.00 H new ATOM 0 HG3 GLU B 33 5.187 -4.475 8.535 1.00 0.00 H new ATOM 810 N LEU B 34 2.117 -6.574 6.170 1.00 0.00 N ATOM 811 CA LEU B 34 1.707 -6.419 4.771 1.00 0.00 C ATOM 812 C LEU B 34 0.185 -6.162 4.801 1.00 0.00 C ATOM 813 O LEU B 34 -0.178 -5.105 4.332 1.00 0.00 O ATOM 814 CB LEU B 34 2.200 -7.683 3.994 1.00 0.00 C ATOM 815 CG LEU B 34 2.689 -7.661 2.520 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.474 -9.004 1.800 1.00 0.00 C ATOM 817 CD2 LEU B 34 2.083 -6.617 1.573 1.00 0.00 C ATOM 0 H LEU B 34 2.754 -7.361 6.296 1.00 0.00 H new ATOM 0 HA LEU B 34 2.147 -5.578 4.235 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.019 -8.100 4.580 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.382 -8.402 4.032 1.00 0.00 H new ATOM 0 HG LEU B 34 3.736 -7.407 2.688 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.834 -8.929 0.774 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.023 -9.788 2.321 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.412 -9.248 1.794 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.523 -6.726 0.582 1.00 0.00 H new ATOM 0 HD22 LEU B 34 1.005 -6.765 1.510 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.290 -5.617 1.954 1.00 0.00 H new ATOM 818 N LEU B 35 -0.698 -6.966 5.461 1.00 0.00 N ATOM 819 CA LEU B 35 -2.144 -6.658 5.447 1.00 0.00 C ATOM 820 C LEU B 35 -2.575 -5.345 6.094 1.00 0.00 C ATOM 821 O LEU B 35 -3.278 -4.554 5.475 1.00 0.00 O ATOM 822 CB LEU B 35 -3.021 -7.765 6.083 1.00 0.00 C ATOM 823 CG LEU B 35 -3.557 -8.855 5.154 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.586 -9.609 5.985 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.226 -8.192 3.927 1.00 0.00 C ATOM 0 H LEU B 35 -0.440 -7.800 5.988 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.309 -6.578 4.372 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.439 -8.247 6.868 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.872 -7.285 6.566 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.777 -9.520 4.783 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -5.019 -10.411 5.387 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -4.103 -10.033 6.866 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.374 -8.924 6.298 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.610 -8.964 3.261 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -5.048 -7.558 4.259 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.492 -7.586 3.395 1.00 0.00 H new ATOM 826 N GLN B 36 -2.215 -5.170 7.357 1.00 0.00 N ATOM 827 CA GLN B 36 -2.488 -3.921 8.080 1.00 0.00 C ATOM 828 C GLN B 36 -1.845 -2.652 7.420 1.00 0.00 C ATOM 829 O GLN B 36 -2.513 -1.620 7.400 1.00 0.00 O ATOM 830 CB GLN B 36 -2.160 -4.281 9.553 1.00 0.00 C ATOM 831 CG GLN B 36 -2.540 -3.219 10.607 1.00 0.00 C ATOM 832 CD GLN B 36 -1.394 -2.300 11.000 1.00 0.00 C ATOM 833 OE1 GLN B 36 -1.016 -1.396 10.145 1.00 0.00 O flip ATOM 834 NE2 GLN B 36 -0.798 -2.419 12.058 1.00 0.00 N flip ATOM 0 H GLN B 36 -1.731 -5.876 7.911 1.00 0.00 H new ATOM 0 HA GLN B 36 -3.520 -3.572 8.034 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -2.671 -5.211 9.802 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -1.090 -4.475 9.630 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -3.360 -2.615 10.220 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -2.910 -3.724 11.499 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -1.091 -3.127 12.732 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -0.007 -1.811 12.269 1.00 0.00 H new ATOM 835 N ILE B 37 -0.640 -2.716 6.818 1.00 0.00 N ATOM 836 CA ILE B 37 -0.135 -1.668 5.891 1.00 0.00 C ATOM 837 C ILE B 37 -0.766 -1.593 4.457 1.00 0.00 C ATOM 838 O ILE B 37 -0.602 -0.562 3.838 1.00 0.00 O ATOM 839 CB ILE B 37 1.442 -1.739 5.866 1.00 0.00 C ATOM 840 CG1 ILE B 37 2.104 -0.352 6.018 1.00 0.00 C ATOM 841 CG2 ILE B 37 1.997 -2.442 4.601 1.00 0.00 C ATOM 842 CD1 ILE B 37 1.774 0.381 7.334 1.00 0.00 C ATOM 0 H ILE B 37 0.011 -3.489 6.956 1.00 0.00 H new ATOM 0 HA ILE B 37 -0.482 -0.721 6.305 1.00 0.00 H new ATOM 0 HB ILE B 37 1.704 -2.344 6.734 1.00 0.00 H new ATOM 0 HG12 ILE B 37 3.185 -0.471 5.946 1.00 0.00 H new ATOM 0 HG13 ILE B 37 1.796 0.276 5.182 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.086 -2.459 4.643 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.619 -3.464 4.557 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.676 -1.898 3.712 1.00 0.00 H new ATOM 0 HD11 ILE B 37 2.283 1.345 7.351 1.00 0.00 H new ATOM 0 HD12 ILE B 37 0.698 0.538 7.403 1.00 0.00 H new ATOM 0 HD13 ILE B 37 2.108 -0.221 8.179 1.00 0.00 H new ATOM 843 N VAL B 38 -1.305 -2.673 3.889 1.00 0.00 N ATOM 844 CA VAL B 38 -1.950 -2.779 2.538 1.00 0.00 C ATOM 845 C VAL B 38 -3.436 -2.271 2.546 1.00 0.00 C ATOM 846 O VAL B 38 -3.858 -1.504 1.681 1.00 0.00 O ATOM 847 CB VAL B 38 -1.895 -4.281 2.125 1.00 0.00 C ATOM 848 CG1 VAL B 38 -2.917 -4.929 1.186 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.512 -4.646 1.576 1.00 0.00 C ATOM 0 H VAL B 38 -1.314 -3.569 4.377 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.416 -2.147 1.828 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.170 -4.696 3.095 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.669 -5.982 1.049 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -3.914 -4.844 1.619 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -2.897 -4.423 0.221 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.499 -5.699 1.295 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.295 -4.034 0.701 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.243 -4.465 2.341 1.00 0.00 H new ATOM 850 N GLN B 39 -4.217 -2.708 3.559 1.00 0.00 N ATOM 851 CA GLN B 39 -5.351 -1.935 4.130 1.00 0.00 C ATOM 852 C GLN B 39 -5.002 -0.425 4.417 1.00 0.00 C ATOM 853 O GLN B 39 -5.703 0.458 3.924 1.00 0.00 O ATOM 854 CB GLN B 39 -5.812 -2.735 5.391 1.00 0.00 C ATOM 855 CG GLN B 39 -6.547 -4.073 5.106 1.00 0.00 C ATOM 856 CD GLN B 39 -6.960 -4.891 6.329 1.00 0.00 C ATOM 857 OE1 GLN B 39 -8.130 -5.109 6.613 1.00 0.00 O ATOM 858 NE2 GLN B 39 -6.020 -5.409 7.075 1.00 0.00 N ATOM 0 H GLN B 39 -4.080 -3.613 4.009 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.168 -1.847 3.413 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.937 -2.946 6.005 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -6.470 -2.098 5.982 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -7.441 -3.855 4.522 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.902 -4.692 4.482 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -5.040 -5.237 6.852 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -6.267 -5.985 7.880 1.00 0.00 H new ATOM 859 N ASP B 40 -3.848 -0.127 5.060 1.00 0.00 N ATOM 860 CA ASP B 40 -3.214 1.225 4.989 1.00 0.00 C ATOM 861 C ASP B 40 -2.817 1.786 3.572 1.00 0.00 C ATOM 862 O ASP B 40 -2.880 2.993 3.346 1.00 0.00 O ATOM 863 CB ASP B 40 -2.111 1.361 6.075 1.00 0.00 C ATOM 864 CG ASP B 40 -1.961 2.698 6.777 1.00 0.00 C ATOM 865 OD1 ASP B 40 -3.124 3.111 7.345 1.00 0.00 O ATOM 866 OD2 ASP B 40 -0.906 3.317 6.844 1.00 0.00 O ATOM 0 H ASP B 40 -3.334 -0.796 5.633 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.023 1.918 5.220 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -2.297 0.604 6.836 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -1.155 1.119 5.611 1.00 0.00 H new ATOM 867 N ALA B 41 -2.428 0.934 2.614 1.00 0.00 N ATOM 868 CA ALA B 41 -1.789 1.353 1.346 1.00 0.00 C ATOM 869 C ALA B 41 -2.744 1.912 0.262 1.00 0.00 C ATOM 870 O ALA B 41 -2.524 2.998 -0.277 1.00 0.00 O ATOM 871 CB ALA B 41 -0.942 0.157 0.854 1.00 0.00 C ATOM 0 H ALA B 41 -2.546 -0.076 2.692 1.00 0.00 H new ATOM 0 HA ALA B 41 -1.164 2.223 1.548 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -0.450 0.420 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.189 -0.088 1.603 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -1.589 -0.706 0.694 1.00 0.00 H new ATOM 872 N LEU B 42 -3.806 1.160 -0.025 1.00 0.00 N ATOM 873 CA LEU B 42 -4.977 1.681 -0.780 1.00 0.00 C ATOM 874 C LEU B 42 -6.129 2.342 0.049 1.00 0.00 C ATOM 875 O LEU B 42 -6.876 3.130 -0.539 1.00 0.00 O ATOM 876 CB LEU B 42 -5.443 0.602 -1.788 1.00 0.00 C ATOM 877 CG LEU B 42 -5.749 -0.839 -1.319 1.00 0.00 C ATOM 878 CD1 LEU B 42 -6.995 -0.947 -0.435 1.00 0.00 C ATOM 879 CD2 LEU B 42 -5.945 -1.709 -2.558 1.00 0.00 C ATOM 0 H LEU B 42 -3.893 0.181 0.250 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.626 2.559 -1.322 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -6.345 0.981 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -4.676 0.532 -2.559 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.907 -1.169 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -7.146 -1.987 -0.145 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -6.861 -0.337 0.458 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -7.865 -0.594 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -6.163 -2.733 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -6.776 -1.321 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -5.036 -1.695 -3.160 1.00 0.00 H new