USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=12 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 32 SER OG : rot 56:sc= 1.16 USER MOD Set 1.2: B 36 GLN : amide:sc= 0.999 K(o=2.2,f=-1.5) USER MOD Set 2.1: B 11 MET CE :methyl 165:sc= -2.87 (180deg=-3.12) USER MOD Set 2.2: B 30 MET CE :methyl -140:sc= -2.69 (180deg=-6.93!) USER MOD Set 3.1: A 32 SER OG : rot 53:sc= 1.28 USER MOD Set 3.2: A 36 GLN : amide:sc= 1.06 K(o=2.3,f=-1.3) USER MOD Set 4.1: A 11 MET CE :methyl -176:sc= -2.28! (180deg=-2.41!) USER MOD Set 4.2: A 30 MET CE :methyl -140:sc= -2.91 (180deg=-6.75!) USER MOD Single : A 6 HIS : no HD1:sc= -0.017 X(o=-0.017,f=-0.059) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A 13 MET CE :methyl 148:sc= 0 (180deg=-0.0443) 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 :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 6 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.46) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : B 13 MET CE :methyl -171:sc= 0 (180deg=-0.065) USER MOD Single : B 18 LYS NZ :NH3+ -127:sc= 0.53 (180deg=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 26 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.055) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.3!) USER MOD Single : B 39 GLN : amide:sc= -0.0309 K(o=-0.031,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.233 -14.395 -3.918 1.00 0.00 N ATOM 26 CA ASP A 4 12.796 -14.016 -4.010 1.00 0.00 C ATOM 27 C ASP A 4 11.857 -15.121 -3.416 1.00 0.00 C ATOM 28 O ASP A 4 11.098 -15.750 -4.159 1.00 0.00 O ATOM 29 CB ASP A 4 12.455 -13.493 -5.436 1.00 0.00 C ATOM 30 CG ASP A 4 12.755 -14.409 -6.632 1.00 0.00 C ATOM 31 OD1 ASP A 4 13.901 -14.687 -6.975 1.00 0.00 O ATOM 32 OD2 ASP A 4 11.638 -14.838 -7.285 1.00 0.00 O ATOM 0 HA ASP A 4 12.595 -13.164 -3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.392 -13.253 -5.458 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.996 -12.559 -5.587 1.00 0.00 H new ATOM 33 N PRO A 5 11.848 -15.346 -2.068 1.00 0.00 N ATOM 34 CA PRO A 5 10.933 -16.305 -1.399 1.00 0.00 C ATOM 35 C PRO A 5 9.410 -15.980 -1.473 1.00 0.00 C ATOM 36 O PRO A 5 8.974 -14.822 -1.469 1.00 0.00 O ATOM 37 CB PRO A 5 11.458 -16.291 0.050 1.00 0.00 C ATOM 38 CG PRO A 5 12.066 -14.900 0.178 1.00 0.00 C ATOM 39 CD PRO A 5 12.777 -14.694 -1.129 1.00 0.00 C ATOM 0 HA PRO A 5 10.955 -17.275 -1.896 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.657 -16.450 0.772 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.199 -17.073 0.219 1.00 0.00 H new ATOM 0 HG2 PRO A 5 11.299 -14.142 0.339 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.755 -14.841 1.021 1.00 0.00 H new ATOM 0 HD2 PRO A 5 12.919 -13.638 -1.358 1.00 0.00 H new ATOM 0 HD3 PRO A 5 13.763 -15.158 -1.138 1.00 0.00 H new ATOM 40 N HIS A 6 8.638 -17.069 -1.493 1.00 0.00 N ATOM 41 CA HIS A 6 7.158 -17.045 -1.539 1.00 0.00 C ATOM 42 C HIS A 6 6.552 -17.093 -0.096 1.00 0.00 C ATOM 43 O HIS A 6 6.899 -17.979 0.695 1.00 0.00 O ATOM 44 CB HIS A 6 6.677 -18.302 -2.333 1.00 0.00 C ATOM 45 CG HIS A 6 7.110 -18.434 -3.795 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.364 -18.883 -4.180 1.00 0.00 N ATOM 47 CD2 HIS A 6 6.344 -18.085 -4.915 1.00 0.00 C ATOM 48 CE1 HIS A 6 8.257 -18.717 -5.535 1.00 0.00 C ATOM 49 NE2 HIS A 6 7.077 -18.278 -6.075 1.00 0.00 N ATOM 0 H HIS A 6 9.022 -18.014 -1.478 1.00 0.00 H new ATOM 0 HA HIS A 6 6.828 -16.124 -2.020 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.024 -19.187 -1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 6 5.588 -18.319 -2.304 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.329 -17.718 -4.879 1.00 0.00 H new ATOM 0 HE1 HIS A 6 9.100 -18.931 -6.176 1.00 0.00 H new ATOM 0 HE2 HIS A 6 6.814 -18.135 -7.050 1.00 0.00 H new ATOM 50 N PHE A 7 5.575 -16.234 0.232 1.00 0.00 N ATOM 51 CA PHE A 7 4.588 -16.545 1.302 1.00 0.00 C ATOM 52 C PHE A 7 3.131 -16.407 0.752 1.00 0.00 C ATOM 53 O PHE A 7 2.835 -15.595 -0.134 1.00 0.00 O ATOM 54 CB PHE A 7 4.923 -15.774 2.616 1.00 0.00 C ATOM 55 CG PHE A 7 4.367 -14.353 2.826 1.00 0.00 C ATOM 56 CD1 PHE A 7 3.098 -14.184 3.399 1.00 0.00 C ATOM 57 CD2 PHE A 7 5.122 -13.214 2.516 1.00 0.00 C ATOM 58 CE1 PHE A 7 2.601 -12.918 3.626 1.00 0.00 C ATOM 59 CE2 PHE A 7 4.631 -11.948 2.793 1.00 0.00 C ATOM 60 CZ PHE A 7 3.370 -11.808 3.375 1.00 0.00 C ATOM 0 H PHE A 7 5.440 -15.328 -0.216 1.00 0.00 H new ATOM 0 HA PHE A 7 4.659 -17.590 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.579 -16.386 3.450 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.009 -15.714 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 7 2.508 -15.049 3.663 1.00 0.00 H new ATOM 0 HD2 PHE A 7 6.094 -13.324 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 7 1.597 -12.798 4.005 1.00 0.00 H new ATOM 0 HE2 PHE A 7 5.221 -11.074 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.999 -10.826 3.628 1.00 0.00 H new ATOM 61 N ASN A 8 2.184 -17.172 1.317 1.00 0.00 N ATOM 62 CA ASN A 8 0.736 -16.934 1.071 1.00 0.00 C ATOM 63 C ASN A 8 0.254 -15.605 1.736 1.00 0.00 C ATOM 64 O ASN A 8 -0.209 -15.593 2.881 1.00 0.00 O ATOM 65 CB ASN A 8 -0.090 -18.169 1.523 1.00 0.00 C ATOM 66 CG ASN A 8 -0.012 -19.372 0.588 1.00 0.00 C ATOM 67 OD1 ASN A 8 0.838 -20.243 0.719 1.00 0.00 O ATOM 68 ND2 ASN A 8 -0.865 -19.447 -0.402 1.00 0.00 N ATOM 0 H ASN A 8 2.382 -17.954 1.941 1.00 0.00 H new ATOM 0 HA ASN A 8 0.575 -16.807 0.000 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.251 -18.474 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.134 -17.872 1.623 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.818 -20.227 -1.057 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.576 -18.725 -0.518 1.00 0.00 H new ATOM 69 N PHE A 9 0.319 -14.482 0.992 1.00 0.00 N ATOM 70 CA PHE A 9 -0.574 -13.348 1.241 1.00 0.00 C ATOM 71 C PHE A 9 -2.023 -13.699 0.765 1.00 0.00 C ATOM 72 O PHE A 9 -2.344 -14.725 0.165 1.00 0.00 O ATOM 73 CB PHE A 9 0.139 -12.088 0.666 1.00 0.00 C ATOM 74 CG PHE A 9 -0.286 -10.777 1.334 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.203 -10.612 2.719 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.706 -9.691 0.570 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.596 -9.433 3.317 1.00 0.00 C ATOM 78 CE2 PHE A 9 -1.187 -8.535 1.165 1.00 0.00 C ATOM 79 CZ PHE A 9 -1.043 -8.391 2.527 1.00 0.00 C ATOM 0 H PHE A 9 0.975 -14.343 0.224 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.750 -13.112 2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.216 -12.209 0.778 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.065 -12.023 -0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.174 -11.419 3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.656 -9.751 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.555 -9.325 4.391 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.663 -7.766 0.575 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.284 -7.444 2.987 1.00 0.00 H new ATOM 80 N ARG A 10 -2.932 -12.941 1.321 1.00 0.00 N ATOM 81 CA ARG A 10 -4.259 -13.408 1.764 1.00 0.00 C ATOM 82 C ARG A 10 -4.974 -12.129 2.260 1.00 0.00 C ATOM 83 O ARG A 10 -4.535 -11.465 3.207 1.00 0.00 O ATOM 84 CB ARG A 10 -4.149 -14.532 2.828 1.00 0.00 C ATOM 85 CG ARG A 10 -5.474 -15.138 3.321 1.00 0.00 C ATOM 86 CD ARG A 10 -6.378 -14.278 4.219 1.00 0.00 C ATOM 87 NE ARG A 10 -5.675 -13.863 5.460 1.00 0.00 N ATOM 88 CZ ARG A 10 -6.204 -13.180 6.463 1.00 0.00 C ATOM 89 NH1 ARG A 10 -7.448 -12.811 6.526 1.00 0.00 N ATOM 90 NH2 ARG A 10 -5.429 -12.873 7.441 1.00 0.00 N ATOM 0 H ARG A 10 -2.783 -11.947 1.492 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.833 -13.881 0.967 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.539 -15.335 2.415 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.613 -14.135 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.054 -15.427 2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.239 -16.053 3.864 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.703 -13.394 3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.275 -14.840 4.478 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.694 -14.129 5.547 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.089 -13.047 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.784 -12.286 7.333 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.449 -13.155 7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.794 -12.347 8.235 1.00 0.00 H new ATOM 91 N MET A 11 -6.044 -11.753 1.563 1.00 0.00 N ATOM 92 CA MET A 11 -6.592 -10.379 1.670 1.00 0.00 C ATOM 93 C MET A 11 -8.115 -10.411 2.002 1.00 0.00 C ATOM 94 O MET A 11 -8.871 -10.826 1.120 1.00 0.00 O ATOM 95 CB MET A 11 -6.321 -9.671 0.317 1.00 0.00 C ATOM 96 CG MET A 11 -4.966 -8.993 0.074 1.00 0.00 C ATOM 97 SD MET A 11 -3.689 -10.240 0.195 1.00 0.00 S ATOM 98 CE MET A 11 -2.954 -10.159 -1.429 1.00 0.00 C ATOM 0 H MET A 11 -6.552 -12.363 0.922 1.00 0.00 H new ATOM 0 HA MET A 11 -6.111 -9.834 2.483 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.462 -10.410 -0.472 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.093 -8.913 0.185 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.947 -8.523 -0.909 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.798 -8.204 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.190 -10.931 -1.522 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.723 -10.317 -2.185 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.499 -9.179 -1.574 1.00 0.00 H new ATOM 99 N PRO A 12 -8.653 -9.914 3.159 1.00 0.00 N ATOM 100 CA PRO A 12 -10.100 -9.562 3.295 1.00 0.00 C ATOM 101 C PRO A 12 -10.755 -8.861 2.062 1.00 0.00 C ATOM 102 O PRO A 12 -10.105 -8.062 1.382 1.00 0.00 O ATOM 103 CB PRO A 12 -10.101 -8.715 4.581 1.00 0.00 C ATOM 104 CG PRO A 12 -8.914 -9.238 5.395 1.00 0.00 C ATOM 105 CD PRO A 12 -7.852 -9.559 4.344 1.00 0.00 C ATOM 0 HA PRO A 12 -10.735 -10.447 3.347 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.990 -7.654 4.356 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.037 -8.828 5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.559 -8.492 6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.185 -10.123 5.971 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.204 -8.704 4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -7.210 -10.382 4.658 1.00 0.00 H new ATOM 106 N MET A 13 -11.986 -9.245 1.699 1.00 0.00 N ATOM 107 CA MET A 13 -12.539 -8.984 0.334 1.00 0.00 C ATOM 108 C MET A 13 -12.562 -7.514 -0.224 1.00 0.00 C ATOM 109 O MET A 13 -12.486 -7.300 -1.435 1.00 0.00 O ATOM 110 CB MET A 13 -13.913 -9.701 0.282 1.00 0.00 C ATOM 111 CG MET A 13 -14.668 -9.681 -1.061 1.00 0.00 C ATOM 112 SD MET A 13 -13.597 -9.832 -2.511 1.00 0.00 S ATOM 113 CE MET A 13 -12.763 -11.408 -2.294 1.00 0.00 C ATOM 0 H MET A 13 -12.628 -9.738 2.320 1.00 0.00 H new ATOM 0 HA MET A 13 -11.819 -9.388 -0.377 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.762 -10.742 0.569 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.557 -9.252 1.038 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.392 -10.496 -1.071 1.00 0.00 H new ATOM 0 HG3 MET A 13 -15.233 -8.752 -1.135 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.567 -11.853 -3.269 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.820 -11.251 -1.771 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.395 -12.077 -1.710 1.00 0.00 H new ATOM 114 N GLU A 14 -12.596 -6.506 0.647 1.00 0.00 N ATOM 115 CA GLU A 14 -12.134 -5.130 0.322 1.00 0.00 C ATOM 116 C GLU A 14 -10.647 -4.961 -0.146 1.00 0.00 C ATOM 117 O GLU A 14 -10.461 -4.495 -1.264 1.00 0.00 O ATOM 118 CB GLU A 14 -12.549 -4.167 1.475 1.00 0.00 C ATOM 119 CG GLU A 14 -12.030 -4.483 2.912 1.00 0.00 C ATOM 120 CD GLU A 14 -12.868 -5.471 3.720 1.00 0.00 C ATOM 121 OE1 GLU A 14 -13.964 -4.882 4.277 1.00 0.00 O ATOM 122 OE2 GLU A 14 -12.582 -6.658 3.838 1.00 0.00 O ATOM 0 H GLU A 14 -12.942 -6.606 1.601 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.651 -4.852 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.213 -3.164 1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.638 -4.139 1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -11.016 -4.875 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.968 -3.548 3.469 1.00 0.00 H new ATOM 123 N VAL A 15 -9.611 -5.365 0.615 1.00 0.00 N ATOM 124 CA VAL A 15 -8.169 -5.358 0.175 1.00 0.00 C ATOM 125 C VAL A 15 -7.922 -6.141 -1.126 1.00 0.00 C ATOM 126 O VAL A 15 -7.214 -5.622 -1.976 1.00 0.00 O ATOM 127 CB VAL A 15 -7.180 -5.907 1.269 1.00 0.00 C ATOM 128 CG1 VAL A 15 -5.841 -5.140 1.280 1.00 0.00 C ATOM 129 CG2 VAL A 15 -7.690 -6.015 2.723 1.00 0.00 C ATOM 0 H VAL A 15 -9.735 -5.712 1.566 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.964 -4.302 0.002 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.059 -6.937 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.191 -5.554 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.358 -5.237 0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.027 -4.087 1.489 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.897 -6.409 3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.985 -5.028 3.079 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.549 -6.685 2.758 1.00 0.00 H new ATOM 130 N ARG A 16 -8.453 -7.356 -1.307 1.00 0.00 N ATOM 131 CA ARG A 16 -8.297 -8.050 -2.598 1.00 0.00 C ATOM 132 C ARG A 16 -9.208 -7.572 -3.737 1.00 0.00 C ATOM 133 O ARG A 16 -8.734 -7.638 -4.859 1.00 0.00 O ATOM 134 CB ARG A 16 -8.306 -9.587 -2.502 1.00 0.00 C ATOM 135 CG ARG A 16 -7.103 -10.155 -3.302 1.00 0.00 C ATOM 136 CD ARG A 16 -7.440 -11.492 -3.913 1.00 0.00 C ATOM 137 NE ARG A 16 -6.301 -11.993 -4.719 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.337 -13.086 -5.475 1.00 0.00 C ATOM 139 NH1 ARG A 16 -7.338 -13.914 -5.523 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.323 -13.333 -6.223 1.00 0.00 N ATOM 0 H ARG A 16 -8.980 -7.870 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.290 -7.742 -2.878 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.244 -9.899 -1.459 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.241 -9.983 -2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.821 -9.454 -4.087 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.241 -10.260 -2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.681 -12.208 -3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.326 -11.399 -4.542 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.430 -11.463 -4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.168 -13.744 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.293 -14.734 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.524 -12.699 -6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.317 -14.163 -6.816 1.00 0.00 H new ATOM 141 N GLU A 17 -10.414 -7.020 -3.556 1.00 0.00 N ATOM 142 CA GLU A 17 -10.987 -6.180 -4.638 1.00 0.00 C ATOM 143 C GLU A 17 -10.174 -4.878 -4.905 1.00 0.00 C ATOM 144 O GLU A 17 -9.979 -4.556 -6.066 1.00 0.00 O ATOM 145 CB GLU A 17 -12.460 -5.837 -4.365 1.00 0.00 C ATOM 146 CG GLU A 17 -13.444 -7.016 -4.540 1.00 0.00 C ATOM 147 CD GLU A 17 -14.841 -6.727 -4.011 1.00 0.00 C ATOM 148 OE1 GLU A 17 -14.865 -6.667 -2.649 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.818 -6.567 -4.734 1.00 0.00 O ATOM 0 H GLU A 17 -10.993 -7.124 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.925 -6.786 -5.542 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.547 -5.458 -3.347 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.760 -5.030 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.510 -7.269 -5.598 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.044 -7.891 -4.028 1.00 0.00 H new ATOM 150 N LYS A 18 -9.671 -4.140 -3.905 1.00 0.00 N ATOM 151 CA LYS A 18 -8.891 -2.901 -4.150 1.00 0.00 C ATOM 152 C LYS A 18 -7.406 -3.076 -4.604 1.00 0.00 C ATOM 153 O LYS A 18 -6.999 -2.410 -5.551 1.00 0.00 O ATOM 154 CB LYS A 18 -9.325 -1.810 -3.149 1.00 0.00 C ATOM 155 CG LYS A 18 -8.743 -1.942 -1.734 1.00 0.00 C ATOM 156 CD LYS A 18 -9.577 -1.257 -0.634 1.00 0.00 C ATOM 157 CE LYS A 18 -9.035 -1.552 0.772 1.00 0.00 C ATOM 158 NZ LYS A 18 -9.870 -0.861 1.774 1.00 0.00 N ATOM 0 H LYS A 18 -9.786 -4.372 -2.918 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.155 -2.461 -5.112 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.039 -0.838 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.413 -1.819 -3.078 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.645 -3.000 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -7.738 -1.519 -1.727 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.582 -0.180 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.611 -1.594 -0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.039 -2.626 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.000 -1.219 0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.504 -1.060 2.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.844 0.164 1.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.851 -1.200 1.702 1.00 0.00 H new ATOM 159 N LEU A 19 -6.638 -4.034 -4.069 1.00 0.00 N ATOM 160 CA LEU A 19 -5.356 -4.512 -4.654 1.00 0.00 C ATOM 161 C LEU A 19 -5.494 -5.254 -6.029 1.00 0.00 C ATOM 162 O LEU A 19 -4.638 -5.065 -6.896 1.00 0.00 O ATOM 163 CB LEU A 19 -4.656 -5.270 -3.491 1.00 0.00 C ATOM 164 CG LEU A 19 -3.123 -5.441 -3.484 1.00 0.00 C ATOM 165 CD1 LEU A 19 -2.277 -4.158 -3.448 1.00 0.00 C ATOM 166 CD2 LEU A 19 -2.823 -6.300 -2.240 1.00 0.00 C ATOM 0 H LEU A 19 -6.885 -4.513 -3.203 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.718 -3.695 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.928 -4.763 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.092 -6.268 -3.448 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.836 -5.888 -4.436 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.219 -4.420 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.499 -3.551 -4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.512 -3.592 -2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.749 -6.467 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.174 -5.782 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.334 -7.259 -2.328 1.00 0.00 H new ATOM 167 N LYS A 20 -6.554 -6.063 -6.262 1.00 0.00 N ATOM 168 CA LYS A 20 -6.762 -6.802 -7.523 1.00 0.00 C ATOM 169 C LYS A 20 -7.590 -6.027 -8.614 1.00 0.00 C ATOM 170 O LYS A 20 -7.441 -6.343 -9.790 1.00 0.00 O ATOM 171 CB LYS A 20 -7.413 -8.169 -7.249 1.00 0.00 C ATOM 172 CG LYS A 20 -7.219 -9.257 -8.318 1.00 0.00 C ATOM 173 CD LYS A 20 -7.909 -10.608 -8.031 1.00 0.00 C ATOM 174 CE LYS A 20 -9.246 -10.544 -7.277 1.00 0.00 C ATOM 175 NZ LYS A 20 -9.827 -11.896 -7.182 1.00 0.00 N ATOM 0 H LYS A 20 -7.291 -6.220 -5.575 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.764 -6.931 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.023 -8.548 -6.304 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.483 -8.014 -7.112 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.589 -8.876 -9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.150 -9.434 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.076 -11.115 -8.981 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.221 -11.228 -7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.093 -10.132 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.935 -9.877 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.732 -11.850 -6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.988 -12.273 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.172 -12.520 -6.670 1.00 0.00 H new ATOM 176 N PHE A 21 -8.474 -5.053 -8.292 1.00 0.00 N ATOM 177 CA PHE A 21 -8.881 -3.968 -9.235 1.00 0.00 C ATOM 178 C PHE A 21 -7.696 -3.076 -9.563 1.00 0.00 C ATOM 179 O PHE A 21 -7.246 -3.257 -10.672 1.00 0.00 O ATOM 180 CB PHE A 21 -10.104 -3.103 -8.826 1.00 0.00 C ATOM 181 CG PHE A 21 -11.435 -3.756 -9.155 1.00 0.00 C ATOM 182 CD1 PHE A 21 -11.778 -4.058 -10.477 1.00 0.00 C ATOM 183 CD2 PHE A 21 -12.304 -4.089 -8.122 1.00 0.00 C ATOM 184 CE1 PHE A 21 -12.952 -4.746 -10.746 1.00 0.00 C ATOM 185 CE2 PHE A 21 -13.478 -4.774 -8.387 1.00 0.00 C ATOM 186 CZ PHE A 21 -13.808 -5.110 -9.702 1.00 0.00 C ATOM 0 H PHE A 21 -8.926 -4.991 -7.380 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.225 -4.510 -10.116 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.059 -2.905 -7.755 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.045 -2.139 -9.332 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.130 -3.756 -11.287 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.062 -3.812 -7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.206 -5.001 -11.764 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.138 -5.048 -7.577 1.00 0.00 H new ATOM 0 HZ PHE A 21 -14.720 -5.649 -9.911 1.00 0.00 H new ATOM 187 N ARG A 22 -7.098 -2.229 -8.718 1.00 0.00 N ATOM 188 CA ARG A 22 -5.765 -1.597 -9.005 1.00 0.00 C ATOM 189 C ARG A 22 -4.784 -2.460 -9.937 1.00 0.00 C ATOM 190 O ARG A 22 -4.424 -1.994 -11.022 1.00 0.00 O ATOM 191 CB ARG A 22 -5.321 -1.080 -7.596 1.00 0.00 C ATOM 192 CG ARG A 22 -4.512 0.226 -7.454 1.00 0.00 C ATOM 193 CD ARG A 22 -3.068 0.106 -7.902 1.00 0.00 C ATOM 194 NE ARG A 22 -2.260 1.237 -7.401 1.00 0.00 N ATOM 195 CZ ARG A 22 -1.157 1.714 -7.956 1.00 0.00 C ATOM 196 NH1 ARG A 22 -0.641 1.284 -9.071 1.00 0.00 N ATOM 197 NH2 ARG A 22 -0.569 2.672 -7.337 1.00 0.00 N ATOM 0 H ARG A 22 -7.501 -1.952 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.776 -0.751 -9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.225 -0.964 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.733 -1.873 -7.134 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.999 1.009 -8.036 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.534 0.544 -6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -2.649 -0.833 -7.540 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.023 0.077 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.582 1.693 -6.547 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.092 0.525 -9.582 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.214 1.706 -9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.956 3.028 -6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.285 3.078 -7.719 1.00 0.00 H new ATOM 198 N ALA A 23 -4.651 -3.799 -9.708 1.00 0.00 N ATOM 199 CA ALA A 23 -4.184 -4.782 -10.733 1.00 0.00 C ATOM 200 C ALA A 23 -5.010 -4.880 -12.079 1.00 0.00 C ATOM 201 O ALA A 23 -4.567 -4.361 -13.100 1.00 0.00 O ATOM 202 CB ALA A 23 -3.916 -6.136 -10.013 1.00 0.00 C ATOM 0 H ALA A 23 -4.865 -4.228 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.254 -4.397 -11.151 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.573 -6.873 -10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.151 -5.997 -9.249 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.836 -6.488 -9.546 1.00 0.00 H new ATOM 203 N GLU A 24 -6.189 -5.521 -12.091 1.00 0.00 N ATOM 204 CA GLU A 24 -7.096 -5.654 -13.284 1.00 0.00 C ATOM 205 C GLU A 24 -7.630 -4.336 -13.960 1.00 0.00 C ATOM 206 O GLU A 24 -7.601 -4.205 -15.183 1.00 0.00 O ATOM 207 CB GLU A 24 -8.304 -6.554 -12.887 1.00 0.00 C ATOM 208 CG GLU A 24 -8.000 -8.018 -12.464 1.00 0.00 C ATOM 209 CD GLU A 24 -9.177 -8.721 -11.792 1.00 0.00 C ATOM 210 OE1 GLU A 24 -9.528 -8.116 -10.620 1.00 0.00 O ATOM 211 OE2 GLU A 24 -9.726 -9.717 -12.250 1.00 0.00 O ATOM 0 H GLU A 24 -6.564 -5.979 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.458 -6.087 -14.055 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.829 -6.068 -12.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.993 -6.584 -13.731 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.704 -8.587 -13.345 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.150 -8.020 -11.782 1.00 0.00 H new ATOM 229 N ARG A 28 -2.076 -4.866 -14.507 1.00 0.00 N ATOM 230 CA ARG A 28 -1.049 -5.615 -13.735 1.00 0.00 C ATOM 231 C ARG A 28 -1.757 -6.890 -13.159 1.00 0.00 C ATOM 232 O ARG A 28 -2.979 -6.943 -12.979 1.00 0.00 O ATOM 233 CB ARG A 28 -0.515 -4.631 -12.671 1.00 0.00 C ATOM 234 CG ARG A 28 0.339 -3.402 -13.119 1.00 0.00 C ATOM 235 CD ARG A 28 0.113 -2.270 -12.103 1.00 0.00 C ATOM 236 NE ARG A 28 1.074 -1.154 -12.006 1.00 0.00 N ATOM 237 CZ ARG A 28 1.109 -0.082 -12.792 1.00 0.00 C ATOM 238 NH1 ARG A 28 0.301 0.126 -13.786 1.00 0.00 N ATOM 239 NH2 ARG A 28 2.010 0.804 -12.549 1.00 0.00 N ATOM 0 HA ARG A 28 -0.194 -5.967 -14.312 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.374 -4.248 -12.120 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.085 -5.206 -11.966 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.395 -3.668 -13.164 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.048 -3.080 -14.119 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.865 -1.837 -12.315 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.051 -2.729 -11.116 1.00 0.00 H new ATOM 0 HE ARG A 28 1.776 -1.210 -11.268 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.422 -0.559 -14.007 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.389 0.974 -14.346 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.663 0.669 -11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.071 1.641 -13.128 1.00 0.00 H new ATOM 240 N SER A 29 -1.008 -7.956 -12.875 1.00 0.00 N ATOM 241 CA SER A 29 -1.611 -9.223 -12.344 1.00 0.00 C ATOM 242 C SER A 29 -1.058 -9.365 -10.916 1.00 0.00 C ATOM 243 O SER A 29 0.157 -9.312 -10.795 1.00 0.00 O ATOM 244 CB SER A 29 -1.226 -10.386 -13.282 1.00 0.00 C ATOM 245 OG SER A 29 -1.815 -11.606 -12.830 1.00 0.00 O ATOM 0 H SER A 29 0.004 -7.989 -12.994 1.00 0.00 H new ATOM 0 HA SER A 29 -2.700 -9.221 -12.308 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.559 -10.168 -14.297 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.141 -10.489 -13.317 1.00 0.00 H new ATOM 0 HG SER A 29 -1.564 -12.335 -13.435 1.00 0.00 H new ATOM 246 N MET A 30 -1.837 -9.386 -9.820 1.00 0.00 N ATOM 247 CA MET A 30 -1.353 -8.799 -8.527 1.00 0.00 C ATOM 248 C MET A 30 0.074 -9.162 -8.012 1.00 0.00 C ATOM 249 O MET A 30 0.731 -8.262 -7.532 1.00 0.00 O ATOM 250 CB MET A 30 -2.271 -9.053 -7.334 1.00 0.00 C ATOM 251 CG MET A 30 -3.655 -8.468 -7.314 1.00 0.00 C ATOM 252 SD MET A 30 -4.627 -9.490 -6.194 1.00 0.00 S ATOM 253 CE MET A 30 -4.560 -8.408 -4.775 1.00 0.00 C ATOM 0 H MET A 30 -2.775 -9.785 -9.786 1.00 0.00 H new ATOM 0 HA MET A 30 -1.341 -7.760 -8.855 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.374 -10.133 -7.228 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.754 -8.693 -6.444 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.633 -7.433 -6.974 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.090 -8.466 -8.314 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.427 -9.002 -3.871 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.723 -7.718 -4.883 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.489 -7.842 -4.704 1.00 0.00 H new ATOM 254 N ASN A 31 0.663 -10.356 -8.128 1.00 0.00 N ATOM 255 CA ASN A 31 2.150 -10.477 -7.970 1.00 0.00 C ATOM 256 C ASN A 31 3.021 -9.382 -8.743 1.00 0.00 C ATOM 257 O ASN A 31 3.811 -8.689 -8.105 1.00 0.00 O ATOM 258 CB ASN A 31 2.561 -11.952 -8.214 1.00 0.00 C ATOM 259 CG ASN A 31 4.027 -12.283 -7.941 1.00 0.00 C ATOM 260 OD1 ASN A 31 4.493 -12.090 -6.738 1.00 0.00 O flip ATOM 261 ND2 ASN A 31 4.774 -12.691 -8.818 1.00 0.00 N flip ATOM 0 H ASN A 31 0.174 -11.230 -8.322 1.00 0.00 H new ATOM 0 HA ASN A 31 2.400 -10.221 -6.940 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.940 -12.592 -7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.337 -12.206 -9.250 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.417 -12.844 -9.761 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.754 -12.878 -8.607 1.00 0.00 H new ATOM 262 N SER A 32 2.715 -9.094 -10.022 1.00 0.00 N ATOM 263 CA SER A 32 2.855 -7.727 -10.620 1.00 0.00 C ATOM 264 C SER A 32 2.245 -6.517 -9.833 1.00 0.00 C ATOM 265 O SER A 32 3.044 -5.778 -9.261 1.00 0.00 O ATOM 266 CB SER A 32 2.571 -7.786 -12.145 1.00 0.00 C ATOM 267 OG SER A 32 2.381 -6.493 -12.731 1.00 0.00 O ATOM 0 H SER A 32 2.364 -9.791 -10.679 1.00 0.00 H new ATOM 0 HA SER A 32 3.901 -7.447 -10.493 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.401 -8.286 -12.644 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.682 -8.392 -12.320 1.00 0.00 H new ATOM 0 HG SER A 32 3.142 -5.917 -12.507 1.00 0.00 H new ATOM 268 N GLU A 33 0.922 -6.261 -9.748 1.00 0.00 N ATOM 269 CA GLU A 33 0.430 -5.000 -9.066 1.00 0.00 C ATOM 270 C GLU A 33 0.855 -4.801 -7.595 1.00 0.00 C ATOM 271 O GLU A 33 1.374 -3.750 -7.240 1.00 0.00 O ATOM 272 CB GLU A 33 -1.101 -4.865 -8.966 1.00 0.00 C ATOM 273 CG GLU A 33 -1.648 -3.537 -8.337 1.00 0.00 C ATOM 274 CD GLU A 33 -1.224 -2.269 -9.045 1.00 0.00 C ATOM 275 OE1 GLU A 33 -1.847 -1.779 -9.970 1.00 0.00 O ATOM 276 OE2 GLU A 33 -0.074 -1.743 -8.551 1.00 0.00 O ATOM 0 H GLU A 33 0.189 -6.866 -10.118 1.00 0.00 H new ATOM 0 HA GLU A 33 0.894 -4.275 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -1.518 -4.965 -9.968 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.479 -5.702 -8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.737 -3.581 -8.325 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.319 -3.482 -7.299 1.00 0.00 H new ATOM 277 N LEU A 34 0.514 -5.776 -6.730 1.00 0.00 N ATOM 278 CA LEU A 34 0.973 -5.873 -5.344 1.00 0.00 C ATOM 279 C LEU A 34 2.489 -5.528 -5.337 1.00 0.00 C ATOM 280 O LEU A 34 2.796 -4.537 -4.707 1.00 0.00 O ATOM 281 CB LEU A 34 0.591 -7.286 -4.823 1.00 0.00 C ATOM 282 CG LEU A 34 0.059 -7.508 -3.393 1.00 0.00 C ATOM 283 CD1 LEU A 34 0.233 -8.948 -2.903 1.00 0.00 C ATOM 284 CD2 LEU A 34 0.609 -6.636 -2.251 1.00 0.00 C ATOM 0 H LEU A 34 -0.109 -6.539 -6.992 1.00 0.00 H new ATOM 0 HA LEU A 34 0.503 -5.170 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.163 -7.680 -5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.477 -7.912 -4.931 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.977 -7.216 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.161 -9.038 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.307 -9.625 -3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.292 -9.207 -2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.131 -6.920 -1.314 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.686 -6.782 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.400 -5.587 -2.461 1.00 0.00 H new ATOM 285 N LEU A 35 3.418 -6.140 -6.133 1.00 0.00 N ATOM 286 CA LEU A 35 4.821 -5.652 -6.151 1.00 0.00 C ATOM 287 C LEU A 35 5.027 -4.200 -6.647 1.00 0.00 C ATOM 288 O LEU A 35 5.784 -3.452 -6.043 1.00 0.00 O ATOM 289 CB LEU A 35 5.798 -6.579 -6.907 1.00 0.00 C ATOM 290 CG LEU A 35 6.264 -7.852 -6.179 1.00 0.00 C ATOM 291 CD1 LEU A 35 7.373 -8.477 -7.015 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.833 -7.559 -4.774 1.00 0.00 C ATOM 0 H LEU A 35 3.228 -6.936 -6.742 1.00 0.00 H new ATOM 0 HA LEU A 35 5.059 -5.664 -5.087 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.325 -6.879 -7.842 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.682 -5.997 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 35 5.403 -8.510 -6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.729 -9.385 -6.527 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.988 -8.724 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.197 -7.771 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.146 -8.492 -4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.690 -6.891 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.065 -7.086 -4.162 1.00 0.00 H new ATOM 293 N GLN A 36 4.372 -3.789 -7.725 1.00 0.00 N ATOM 294 CA GLN A 36 4.433 -2.379 -8.203 1.00 0.00 C ATOM 295 C GLN A 36 3.932 -1.313 -7.194 1.00 0.00 C ATOM 296 O GLN A 36 4.628 -0.320 -7.008 1.00 0.00 O ATOM 297 CB GLN A 36 3.702 -2.226 -9.572 1.00 0.00 C ATOM 298 CG GLN A 36 4.504 -2.572 -10.850 1.00 0.00 C ATOM 299 CD GLN A 36 4.796 -4.047 -11.125 1.00 0.00 C ATOM 300 OE1 GLN A 36 4.252 -4.691 -12.017 1.00 0.00 O ATOM 301 NE2 GLN A 36 5.658 -4.640 -10.349 1.00 0.00 N ATOM 0 H GLN A 36 3.787 -4.398 -8.297 1.00 0.00 H new ATOM 0 HA GLN A 36 5.497 -2.174 -8.322 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.813 -2.856 -9.551 1.00 0.00 H new ATOM 0 HB3 GLN A 36 3.360 -1.195 -9.658 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.961 -2.172 -11.706 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.457 -2.044 -10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.118 -4.117 -9.604 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.873 -5.627 -10.487 1.00 0.00 H new ATOM 302 N ILE A 37 2.804 -1.521 -6.507 1.00 0.00 N ATOM 303 CA ILE A 37 2.442 -0.710 -5.323 1.00 0.00 C ATOM 304 C ILE A 37 3.230 -1.023 -4.009 1.00 0.00 C ATOM 305 O ILE A 37 3.045 -0.237 -3.111 1.00 0.00 O ATOM 306 CB ILE A 37 0.886 -0.863 -5.095 1.00 0.00 C ATOM 307 CG1 ILE A 37 0.247 0.424 -4.537 1.00 0.00 C ATOM 308 CG2 ILE A 37 0.564 -2.056 -4.172 1.00 0.00 C ATOM 309 CD1 ILE A 37 -1.260 0.410 -4.234 1.00 0.00 C ATOM 0 H ILE A 37 2.122 -2.241 -6.744 1.00 0.00 H new ATOM 0 HA ILE A 37 2.729 0.317 -5.547 1.00 0.00 H new ATOM 0 HB ILE A 37 0.451 -1.053 -6.076 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.770 0.684 -3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.437 1.227 -5.249 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.515 -2.131 -4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.938 -2.976 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.041 -1.906 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.563 1.384 -3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.813 0.194 -5.148 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -1.474 -0.357 -3.490 1.00 0.00 H new ATOM 310 N VAL A 38 3.869 -2.182 -3.794 1.00 0.00 N ATOM 311 CA VAL A 38 4.553 -2.599 -2.527 1.00 0.00 C ATOM 312 C VAL A 38 6.056 -2.141 -2.554 1.00 0.00 C ATOM 313 O VAL A 38 6.556 -1.555 -1.597 1.00 0.00 O ATOM 314 CB VAL A 38 4.496 -4.146 -2.375 1.00 0.00 C ATOM 315 CG1 VAL A 38 5.493 -4.927 -1.505 1.00 0.00 C ATOM 316 CG2 VAL A 38 3.108 -4.615 -1.933 1.00 0.00 C ATOM 0 H VAL A 38 3.935 -2.896 -4.519 1.00 0.00 H new ATOM 0 HA VAL A 38 4.043 -2.131 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 38 4.794 -4.388 -3.395 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.260 -5.991 -1.550 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.505 -4.761 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.422 -4.584 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.104 -5.701 -1.837 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.861 -4.165 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.369 -4.314 -2.675 1.00 0.00 H new ATOM 317 N GLN A 39 6.781 -2.419 -3.667 1.00 0.00 N ATOM 318 CA GLN A 39 7.999 -1.664 -4.064 1.00 0.00 C ATOM 319 C GLN A 39 7.732 -0.127 -4.185 1.00 0.00 C ATOM 320 O GLN A 39 8.493 0.656 -3.607 1.00 0.00 O ATOM 321 CB GLN A 39 8.537 -2.241 -5.415 1.00 0.00 C ATOM 322 CG GLN A 39 8.822 -3.764 -5.498 1.00 0.00 C ATOM 323 CD GLN A 39 9.379 -4.330 -6.807 1.00 0.00 C ATOM 324 OE1 GLN A 39 10.382 -5.031 -6.839 1.00 0.00 O ATOM 325 NE2 GLN A 39 8.732 -4.107 -7.922 1.00 0.00 N ATOM 0 H GLN A 39 6.540 -3.170 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 39 8.748 -1.787 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.815 -1.994 -6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 39 9.461 -1.715 -5.658 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.524 -4.014 -4.703 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.892 -4.288 -5.279 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.894 -3.526 -7.918 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.066 -4.514 -8.796 1.00 0.00 H new ATOM 326 N ASP A 40 6.598 0.302 -4.807 1.00 0.00 N ATOM 327 CA ASP A 40 6.038 1.656 -4.537 1.00 0.00 C ATOM 328 C ASP A 40 5.589 2.004 -3.072 1.00 0.00 C ATOM 329 O ASP A 40 5.719 3.152 -2.662 1.00 0.00 O ATOM 330 CB ASP A 40 5.301 2.277 -5.755 1.00 0.00 C ATOM 331 CG ASP A 40 5.538 3.779 -5.929 1.00 0.00 C ATOM 332 OD1 ASP A 40 6.680 4.055 -6.613 1.00 0.00 O ATOM 333 OD2 ASP A 40 4.818 4.642 -5.456 1.00 0.00 O ATOM 0 H ASP A 40 6.068 -0.252 -5.479 1.00 0.00 H new ATOM 0 HA ASP A 40 6.909 2.307 -4.462 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.621 1.762 -6.661 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.231 2.099 -5.648 1.00 0.00 H new ATOM 334 N ALA A 41 5.173 1.050 -2.233 1.00 0.00 N ATOM 335 CA ALA A 41 4.729 1.316 -0.832 1.00 0.00 C ATOM 336 C ALA A 41 5.891 1.623 0.160 1.00 0.00 C ATOM 337 O ALA A 41 5.858 2.592 0.914 1.00 0.00 O ATOM 338 CB ALA A 41 3.808 0.176 -0.344 1.00 0.00 C ATOM 0 H ALA A 41 5.129 0.065 -2.492 1.00 0.00 H new ATOM 0 HA ALA A 41 4.154 2.242 -0.851 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.489 0.378 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.933 0.113 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.351 -0.769 -0.374 1.00 0.00 H new ATOM 566 N PRO B 5 -9.198 -14.112 0.101 1.00 0.00 N ATOM 567 CA PRO B 5 -8.589 -15.140 -0.778 1.00 0.00 C ATOM 568 C PRO B 5 -7.037 -15.139 -0.756 1.00 0.00 C ATOM 569 O PRO B 5 -6.382 -14.090 -0.737 1.00 0.00 O ATOM 570 CB PRO B 5 -9.188 -14.801 -2.163 1.00 0.00 C ATOM 571 CG PRO B 5 -10.194 -13.675 -1.916 1.00 0.00 C ATOM 572 CD PRO B 5 -9.684 -12.967 -0.688 1.00 0.00 C ATOM 0 HA PRO B 5 -8.814 -16.157 -0.456 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -8.411 -14.486 -2.859 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -9.675 -15.672 -2.602 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -10.248 -12.999 -2.769 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -11.198 -14.069 -1.757 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -8.890 -12.256 -0.919 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -10.469 -12.412 -0.173 1.00 0.00 H new ATOM 573 N HIS B 6 -6.490 -16.355 -0.785 1.00 0.00 N ATOM 574 CA HIS B 6 -5.033 -16.612 -0.733 1.00 0.00 C ATOM 575 C HIS B 6 -4.366 -16.483 -2.140 1.00 0.00 C ATOM 576 O HIS B 6 -4.774 -17.170 -3.084 1.00 0.00 O ATOM 577 CB HIS B 6 -4.836 -18.062 -0.194 1.00 0.00 C ATOM 578 CG HIS B 6 -5.264 -18.342 1.247 1.00 0.00 C ATOM 579 ND1 HIS B 6 -6.575 -18.586 1.631 1.00 0.00 N ATOM 580 CD2 HIS B 6 -4.408 -18.386 2.354 1.00 0.00 C ATOM 581 CE1 HIS B 6 -6.387 -18.742 2.980 1.00 0.00 C ATOM 582 NE2 HIS B 6 -5.122 -18.679 3.503 1.00 0.00 N ATOM 0 H HIS B 6 -7.047 -17.208 -0.846 1.00 0.00 H new ATOM 0 HA HIS B 6 -4.560 -15.873 -0.086 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -5.385 -18.741 -0.846 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -3.780 -18.315 -0.287 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -3.342 -18.216 2.317 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -7.233 -18.914 3.629 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -4.800 -18.810 4.462 1.00 0.00 H new ATOM 583 N PHE B 7 -3.279 -15.704 -2.280 1.00 0.00 N ATOM 584 CA PHE B 7 -2.290 -15.944 -3.363 1.00 0.00 C ATOM 585 C PHE B 7 -0.840 -15.999 -2.786 1.00 0.00 C ATOM 586 O PHE B 7 -0.477 -15.285 -1.843 1.00 0.00 O ATOM 587 CB PHE B 7 -2.543 -14.987 -4.565 1.00 0.00 C ATOM 588 CG PHE B 7 -1.950 -13.568 -4.565 1.00 0.00 C ATOM 589 CD1 PHE B 7 -0.631 -13.383 -5.001 1.00 0.00 C ATOM 590 CD2 PHE B 7 -2.727 -12.436 -4.269 1.00 0.00 C ATOM 591 CE1 PHE B 7 -0.123 -12.110 -5.161 1.00 0.00 C ATOM 592 CE2 PHE B 7 -2.217 -11.161 -4.478 1.00 0.00 C ATOM 593 CZ PHE B 7 -0.932 -11.012 -4.988 1.00 0.00 C ATOM 0 H PHE B 7 -3.059 -14.915 -1.672 1.00 0.00 H new ATOM 0 HA PHE B 7 -2.424 -16.934 -3.799 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -2.177 -15.490 -5.460 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.623 -14.886 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -0.009 -14.240 -5.213 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -3.726 -12.558 -3.877 1.00 0.00 H new ATOM 0 HE1 PHE B 7 0.916 -11.976 -5.424 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.814 -10.292 -4.246 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.568 -10.029 -5.249 1.00 0.00 H new ATOM 594 N ASN B 8 0.028 -16.830 -3.387 1.00 0.00 N ATOM 595 CA ASN B 8 1.483 -16.819 -3.070 1.00 0.00 C ATOM 596 C ASN B 8 2.170 -15.525 -3.609 1.00 0.00 C ATOM 597 O ASN B 8 2.731 -15.511 -4.710 1.00 0.00 O ATOM 598 CB ASN B 8 2.147 -18.125 -3.591 1.00 0.00 C ATOM 599 CG ASN B 8 1.817 -19.379 -2.784 1.00 0.00 C ATOM 600 OD1 ASN B 8 0.805 -20.036 -2.993 1.00 0.00 O ATOM 601 ND2 ASN B 8 2.627 -19.734 -1.820 1.00 0.00 N ATOM 0 H ASN B 8 -0.241 -17.517 -4.092 1.00 0.00 H new ATOM 0 HA ASN B 8 1.616 -16.797 -1.988 1.00 0.00 H new ATOM 0 HB2 ASN B 8 1.840 -18.284 -4.625 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.228 -17.988 -3.597 1.00 0.00 H new ATOM 0 HD21 ASN B 8 2.413 -20.552 -1.250 1.00 0.00 H new ATOM 0 HD22 ASN B 8 3.472 -19.193 -1.639 1.00 0.00 H new ATOM 602 N PHE B 9 2.150 -14.431 -2.818 1.00 0.00 N ATOM 603 CA PHE B 9 3.067 -13.309 -3.025 1.00 0.00 C ATOM 604 C PHE B 9 4.517 -13.707 -2.644 1.00 0.00 C ATOM 605 O PHE B 9 4.819 -14.646 -1.911 1.00 0.00 O ATOM 606 CB PHE B 9 2.466 -12.072 -2.308 1.00 0.00 C ATOM 607 CG PHE B 9 3.035 -10.726 -2.776 1.00 0.00 C ATOM 608 CD1 PHE B 9 3.161 -10.425 -4.140 1.00 0.00 C ATOM 609 CD2 PHE B 9 3.209 -9.692 -1.855 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.504 -9.157 -4.556 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.619 -8.433 -2.265 1.00 0.00 C ATOM 612 CZ PHE B 9 3.675 -8.159 -3.615 1.00 0.00 C ATOM 0 H PHE B 9 1.508 -14.309 -2.035 1.00 0.00 H new ATOM 0 HA PHE B 9 3.165 -13.030 -4.074 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.387 -12.068 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.636 -12.171 -1.236 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.987 -11.198 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE B 9 3.021 -9.875 -0.807 1.00 0.00 H new ATOM 0 HE1 PHE B 9 3.638 -8.945 -5.607 1.00 0.00 H new ATOM 0 HE2 PHE B 9 3.890 -7.680 -1.540 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.856 -7.146 -3.943 1.00 0.00 H new ATOM 613 N ARG B 10 5.415 -13.012 -3.299 1.00 0.00 N ATOM 614 CA ARG B 10 6.823 -13.448 -3.446 1.00 0.00 C ATOM 615 C ARG B 10 7.672 -12.229 -3.870 1.00 0.00 C ATOM 616 O ARG B 10 7.362 -11.516 -4.835 1.00 0.00 O ATOM 617 CB ARG B 10 7.013 -14.731 -4.291 1.00 0.00 C ATOM 618 CG ARG B 10 7.170 -14.602 -5.800 1.00 0.00 C ATOM 619 CD ARG B 10 8.633 -14.374 -6.213 1.00 0.00 C ATOM 620 NE ARG B 10 8.776 -14.224 -7.680 1.00 0.00 N ATOM 621 CZ ARG B 10 8.546 -13.114 -8.375 1.00 0.00 C ATOM 622 NH1 ARG B 10 8.147 -11.991 -7.856 1.00 0.00 N ATOM 623 NH2 ARG B 10 8.730 -13.164 -9.645 1.00 0.00 N ATOM 0 H ARG B 10 5.211 -12.122 -3.754 1.00 0.00 H new ATOM 0 HA ARG B 10 7.196 -13.789 -2.480 1.00 0.00 H new ATOM 0 HB2 ARG B 10 7.894 -15.248 -3.911 1.00 0.00 H new ATOM 0 HB3 ARG B 10 6.157 -15.379 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG B 10 6.795 -15.505 -6.281 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.560 -13.773 -6.158 1.00 0.00 H new ATOM 0 HD2 ARG B 10 9.015 -13.481 -5.718 1.00 0.00 H new ATOM 0 HD3 ARG B 10 9.241 -15.212 -5.873 1.00 0.00 H new ATOM 0 HE ARG B 10 9.078 -15.046 -8.204 1.00 0.00 H new ATOM 0 HH11 ARG B 10 7.990 -11.921 -6.851 1.00 0.00 H new ATOM 0 HH12 ARG B 10 7.991 -11.180 -8.454 1.00 0.00 H new ATOM 0 HH21 ARG B 10 9.041 -14.032 -10.082 1.00 0.00 H new ATOM 0 HH22 ARG B 10 8.566 -12.336 -10.217 1.00 0.00 H new ATOM 624 N MET B 11 8.725 -11.972 -3.109 1.00 0.00 N ATOM 625 CA MET B 11 9.316 -10.615 -3.056 1.00 0.00 C ATOM 626 C MET B 11 10.849 -10.671 -3.352 1.00 0.00 C ATOM 627 O MET B 11 11.571 -11.207 -2.502 1.00 0.00 O ATOM 628 CB MET B 11 8.989 -10.028 -1.659 1.00 0.00 C ATOM 629 CG MET B 11 7.652 -9.294 -1.451 1.00 0.00 C ATOM 630 SD MET B 11 6.278 -10.406 -1.777 1.00 0.00 S ATOM 631 CE MET B 11 5.596 -10.615 -0.131 1.00 0.00 C ATOM 0 H MET B 11 9.192 -12.664 -2.523 1.00 0.00 H new ATOM 0 HA MET B 11 8.895 -9.965 -3.823 1.00 0.00 H new ATOM 0 HB2 MET B 11 9.030 -10.847 -0.941 1.00 0.00 H new ATOM 0 HB3 MET B 11 9.789 -9.335 -1.398 1.00 0.00 H new ATOM 0 HG2 MET B 11 7.590 -8.917 -0.430 1.00 0.00 H new ATOM 0 HG3 MET B 11 7.596 -8.430 -2.114 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.600 -11.052 -0.203 1.00 0.00 H new ATOM 0 HE2 MET B 11 6.241 -11.275 0.449 1.00 0.00 H new ATOM 0 HE3 MET B 11 5.532 -9.645 0.362 1.00 0.00 H new ATOM 632 N PRO B 12 11.410 -10.080 -4.458 1.00 0.00 N ATOM 633 CA PRO B 12 12.865 -9.748 -4.554 1.00 0.00 C ATOM 634 C PRO B 12 13.504 -9.136 -3.272 1.00 0.00 C ATOM 635 O PRO B 12 12.821 -8.458 -2.493 1.00 0.00 O ATOM 636 CB PRO B 12 12.913 -8.815 -5.779 1.00 0.00 C ATOM 637 CG PRO B 12 11.706 -9.220 -6.627 1.00 0.00 C ATOM 638 CD PRO B 12 10.631 -9.576 -5.604 1.00 0.00 C ATOM 0 HA PRO B 12 13.478 -10.643 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO B 12 12.854 -7.768 -5.481 1.00 0.00 H new ATOM 0 HB3 PRO B 12 13.844 -8.937 -6.333 1.00 0.00 H new ATOM 0 HG2 PRO B 12 11.384 -8.405 -7.276 1.00 0.00 H new ATOM 0 HG3 PRO B 12 11.939 -10.068 -7.271 1.00 0.00 H new ATOM 0 HD2 PRO B 12 10.031 -8.708 -5.332 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.945 -10.331 -5.987 1.00 0.00 H new ATOM 639 N MET B 13 14.759 -9.484 -2.960 1.00 0.00 N ATOM 640 CA MET B 13 15.181 -9.535 -1.529 1.00 0.00 C ATOM 641 C MET B 13 15.121 -8.204 -0.714 1.00 0.00 C ATOM 642 O MET B 13 14.704 -8.240 0.443 1.00 0.00 O ATOM 643 CB MET B 13 16.520 -10.292 -1.404 1.00 0.00 C ATOM 644 CG MET B 13 16.999 -10.599 0.034 1.00 0.00 C ATOM 645 SD MET B 13 15.668 -11.084 1.170 1.00 0.00 S ATOM 646 CE MET B 13 14.979 -12.580 0.434 1.00 0.00 C ATOM 0 H MET B 13 15.483 -9.727 -3.637 1.00 0.00 H new ATOM 0 HA MET B 13 14.400 -10.101 -1.021 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.432 -11.234 -1.945 1.00 0.00 H new ATOM 0 HB3 MET B 13 17.292 -9.708 -1.905 1.00 0.00 H new ATOM 0 HG2 MET B 13 17.739 -11.398 -0.004 1.00 0.00 H new ATOM 0 HG3 MET B 13 17.501 -9.718 0.434 1.00 0.00 H new ATOM 0 HE1 MET B 13 14.067 -12.858 0.962 1.00 0.00 H new ATOM 0 HE2 MET B 13 14.749 -12.397 -0.616 1.00 0.00 H new ATOM 0 HE3 MET B 13 15.704 -13.390 0.510 1.00 0.00 H new ATOM 647 N GLU B 14 15.412 -7.041 -1.317 1.00 0.00 N ATOM 648 CA GLU B 14 15.035 -5.729 -0.721 1.00 0.00 C ATOM 649 C GLU B 14 13.508 -5.488 -0.460 1.00 0.00 C ATOM 650 O GLU B 14 13.199 -4.976 0.603 1.00 0.00 O ATOM 651 CB GLU B 14 15.739 -4.561 -1.467 1.00 0.00 C ATOM 652 CG GLU B 14 15.075 -4.084 -2.787 1.00 0.00 C ATOM 653 CD GLU B 14 15.818 -2.956 -3.493 1.00 0.00 C ATOM 654 OE1 GLU B 14 16.785 -3.143 -4.224 1.00 0.00 O ATOM 655 OE2 GLU B 14 15.280 -1.731 -3.220 1.00 0.00 O ATOM 0 H GLU B 14 15.902 -6.971 -2.209 1.00 0.00 H new ATOM 0 HA GLU B 14 15.418 -5.764 0.299 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.800 -3.710 -0.789 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.762 -4.865 -1.690 1.00 0.00 H new ATOM 0 HG2 GLU B 14 14.996 -4.932 -3.467 1.00 0.00 H new ATOM 0 HG3 GLU B 14 14.059 -3.754 -2.570 1.00 0.00 H new ATOM 656 N VAL B 15 12.549 -5.855 -1.334 1.00 0.00 N ATOM 657 CA VAL B 15 11.084 -5.804 -1.007 1.00 0.00 C ATOM 658 C VAL B 15 10.717 -6.684 0.199 1.00 0.00 C ATOM 659 O VAL B 15 10.007 -6.191 1.065 1.00 0.00 O ATOM 660 CB VAL B 15 10.143 -6.228 -2.193 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.841 -5.419 -2.169 1.00 0.00 C ATOM 662 CG2 VAL B 15 10.699 -6.193 -3.631 1.00 0.00 C ATOM 0 H VAL B 15 12.749 -6.192 -2.276 1.00 0.00 H new ATOM 0 HA VAL B 15 10.918 -4.751 -0.781 1.00 0.00 H new ATOM 0 HB VAL B 15 10.001 -7.288 -1.983 1.00 0.00 H new ATOM 0 HG11 VAL B 15 8.205 -5.729 -2.998 1.00 0.00 H new ATOM 0 HG12 VAL B 15 8.321 -5.595 -1.227 1.00 0.00 H new ATOM 0 HG13 VAL B 15 9.070 -4.358 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.925 -6.514 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL B 15 11.010 -5.178 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL B 15 11.555 -6.863 -3.706 1.00 0.00 H new ATOM 663 N ARG B 16 11.138 -7.956 0.272 1.00 0.00 N ATOM 664 CA ARG B 16 10.832 -8.762 1.466 1.00 0.00 C ATOM 665 C ARG B 16 11.621 -8.377 2.723 1.00 0.00 C ATOM 666 O ARG B 16 11.002 -8.295 3.766 1.00 0.00 O ATOM 667 CB ARG B 16 10.833 -10.284 1.251 1.00 0.00 C ATOM 668 CG ARG B 16 9.584 -10.879 1.955 1.00 0.00 C ATOM 669 CD ARG B 16 9.796 -12.335 2.277 1.00 0.00 C ATOM 670 NE ARG B 16 8.683 -12.850 3.110 1.00 0.00 N ATOM 671 CZ ARG B 16 8.650 -14.056 3.666 1.00 0.00 C ATOM 672 NH1 ARG B 16 9.535 -14.985 3.456 1.00 0.00 N ATOM 673 NH2 ARG B 16 7.685 -14.315 4.473 1.00 0.00 N ATOM 0 H ARG B 16 11.672 -8.436 -0.452 1.00 0.00 H new ATOM 0 HA ARG B 16 9.794 -8.487 1.654 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.815 -10.517 0.186 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.743 -10.724 1.658 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.379 -10.325 2.871 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.711 -10.767 1.312 1.00 0.00 H new ATOM 0 HD2 ARG B 16 9.864 -12.911 1.354 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.742 -12.463 2.804 1.00 0.00 H new ATOM 0 HE ARG B 16 7.885 -12.234 3.268 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.320 -14.809 2.828 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.445 -15.889 3.919 1.00 0.00 H new ATOM 0 HH21 ARG B 16 6.978 -13.606 4.667 1.00 0.00 H new ATOM 0 HH22 ARG B 16 7.625 -15.230 4.920 1.00 0.00 H new ATOM 674 N GLU B 17 12.912 -8.069 2.695 1.00 0.00 N ATOM 675 CA GLU B 17 13.569 -7.428 3.837 1.00 0.00 C ATOM 676 C GLU B 17 13.001 -6.015 4.224 1.00 0.00 C ATOM 677 O GLU B 17 12.911 -5.735 5.409 1.00 0.00 O ATOM 678 CB GLU B 17 15.030 -7.435 3.357 1.00 0.00 C ATOM 679 CG GLU B 17 16.012 -6.940 4.408 1.00 0.00 C ATOM 680 CD GLU B 17 17.480 -6.990 4.005 1.00 0.00 C ATOM 681 OE1 GLU B 17 18.038 -8.206 4.264 1.00 0.00 O ATOM 682 OE2 GLU B 17 18.078 -6.043 3.506 1.00 0.00 O ATOM 0 H GLU B 17 13.525 -8.250 1.900 1.00 0.00 H new ATOM 0 HA GLU B 17 13.412 -7.941 4.786 1.00 0.00 H new ATOM 0 HB2 GLU B 17 15.304 -8.448 3.063 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.116 -6.811 2.467 1.00 0.00 H new ATOM 0 HG2 GLU B 17 15.757 -5.911 4.663 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.880 -7.534 5.312 1.00 0.00 H new ATOM 683 N LYS B 18 12.552 -5.162 3.288 1.00 0.00 N ATOM 684 CA LYS B 18 11.727 -3.968 3.606 1.00 0.00 C ATOM 685 C LYS B 18 10.303 -4.289 4.164 1.00 0.00 C ATOM 686 O LYS B 18 9.998 -3.861 5.272 1.00 0.00 O ATOM 687 CB LYS B 18 11.789 -2.965 2.436 1.00 0.00 C ATOM 688 CG LYS B 18 13.131 -2.258 2.110 1.00 0.00 C ATOM 689 CD LYS B 18 13.085 -1.313 0.879 1.00 0.00 C ATOM 690 CE LYS B 18 12.822 -1.976 -0.479 1.00 0.00 C ATOM 691 NZ LYS B 18 12.853 -0.972 -1.563 1.00 0.00 N ATOM 0 H LYS B 18 12.745 -5.273 2.293 1.00 0.00 H new ATOM 0 HA LYS B 18 12.169 -3.466 4.467 1.00 0.00 H new ATOM 0 HB2 LYS B 18 11.469 -3.491 1.537 1.00 0.00 H new ATOM 0 HB3 LYS B 18 11.049 -2.189 2.631 1.00 0.00 H new ATOM 0 HG2 LYS B 18 13.444 -1.682 2.981 1.00 0.00 H new ATOM 0 HG3 LYS B 18 13.894 -3.018 1.939 1.00 0.00 H new ATOM 0 HD2 LYS B 18 12.310 -0.566 1.050 1.00 0.00 H new ATOM 0 HD3 LYS B 18 14.034 -0.780 0.821 1.00 0.00 H new ATOM 0 HE2 LYS B 18 13.572 -2.744 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.853 -2.474 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 11.979 -1.039 -2.123 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 12.929 -0.020 -1.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 13.673 -1.150 -2.178 1.00 0.00 H new ATOM 692 N LEU B 19 9.466 -5.070 3.470 1.00 0.00 N ATOM 693 CA LEU B 19 8.119 -5.494 3.928 1.00 0.00 C ATOM 694 C LEU B 19 8.073 -6.413 5.195 1.00 0.00 C ATOM 695 O LEU B 19 7.190 -6.272 6.046 1.00 0.00 O ATOM 696 CB LEU B 19 7.443 -6.032 2.636 1.00 0.00 C ATOM 697 CG LEU B 19 5.915 -5.985 2.576 1.00 0.00 C ATOM 698 CD1 LEU B 19 5.257 -4.592 2.536 1.00 0.00 C ATOM 699 CD2 LEU B 19 5.491 -6.785 1.336 1.00 0.00 C ATOM 0 H LEU B 19 9.704 -5.439 2.549 1.00 0.00 H new ATOM 0 HA LEU B 19 7.552 -4.665 4.351 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.832 -5.466 1.790 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.755 -7.067 2.497 1.00 0.00 H new ATOM 0 HG LEU B 19 5.564 -6.403 3.519 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.173 -4.703 2.495 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.531 -4.034 3.431 1.00 0.00 H new ATOM 0 HD13 LEU B 19 5.600 -4.053 1.653 1.00 0.00 H new ATOM 0 HD21 LEU B 19 4.404 -6.778 1.253 1.00 0.00 H new ATOM 0 HD22 LEU B 19 5.926 -6.332 0.445 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.842 -7.813 1.429 1.00 0.00 H new ATOM 700 N LYS B 20 9.039 -7.330 5.334 1.00 0.00 N ATOM 701 CA LYS B 20 9.199 -8.219 6.485 1.00 0.00 C ATOM 702 C LYS B 20 10.047 -7.595 7.647 1.00 0.00 C ATOM 703 O LYS B 20 9.846 -8.027 8.772 1.00 0.00 O ATOM 704 CB LYS B 20 9.836 -9.542 6.017 1.00 0.00 C ATOM 705 CG LYS B 20 9.643 -10.755 6.942 1.00 0.00 C ATOM 706 CD LYS B 20 10.420 -12.037 6.555 1.00 0.00 C ATOM 707 CE LYS B 20 11.656 -11.874 5.652 1.00 0.00 C ATOM 708 NZ LYS B 20 12.273 -13.187 5.391 1.00 0.00 N ATOM 0 H LYS B 20 9.754 -7.476 4.622 1.00 0.00 H new ATOM 0 HA LYS B 20 8.204 -8.392 6.896 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.428 -9.790 5.037 1.00 0.00 H new ATOM 0 HB3 LYS B 20 10.906 -9.379 5.885 1.00 0.00 H new ATOM 0 HG2 LYS B 20 9.937 -10.467 7.951 1.00 0.00 H new ATOM 0 HG3 LYS B 20 8.580 -10.995 6.976 1.00 0.00 H new ATOM 0 HD2 LYS B 20 10.738 -12.528 7.475 1.00 0.00 H new ATOM 0 HD3 LYS B 20 9.726 -12.713 6.056 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.368 -11.406 4.711 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.379 -11.213 6.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.106 -13.064 4.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.564 -13.619 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 11.585 -13.806 4.917 1.00 0.00 H new ATOM 709 N PHE B 21 10.970 -6.617 7.448 1.00 0.00 N ATOM 710 CA PHE B 21 11.422 -5.707 8.546 1.00 0.00 C ATOM 711 C PHE B 21 10.277 -4.829 9.020 1.00 0.00 C ATOM 712 O PHE B 21 9.813 -5.172 10.083 1.00 0.00 O ATOM 713 CB PHE B 21 12.646 -4.818 8.233 1.00 0.00 C ATOM 714 CG PHE B 21 14.016 -5.469 8.199 1.00 0.00 C ATOM 715 CD1 PHE B 21 14.264 -6.801 8.543 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.058 -4.665 7.750 1.00 0.00 C ATOM 717 CE1 PHE B 21 15.530 -7.333 8.385 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.326 -5.194 7.592 1.00 0.00 C ATOM 719 CZ PHE B 21 16.575 -6.532 7.912 1.00 0.00 C ATOM 0 H PHE B 21 11.415 -6.436 6.548 1.00 0.00 H new ATOM 0 HA PHE B 21 11.752 -6.390 9.328 1.00 0.00 H new ATOM 0 HB2 PHE B 21 12.477 -4.348 7.264 1.00 0.00 H new ATOM 0 HB3 PHE B 21 12.675 -4.019 8.974 1.00 0.00 H new ATOM 0 HD1 PHE B 21 13.466 -7.415 8.933 1.00 0.00 H new ATOM 0 HD2 PHE B 21 14.877 -3.625 7.524 1.00 0.00 H new ATOM 0 HE1 PHE B 21 15.713 -8.369 8.627 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.126 -4.572 7.220 1.00 0.00 H new ATOM 0 HZ PHE B 21 17.566 -6.944 7.795 1.00 0.00 H new ATOM 720 N ARG B 22 9.738 -3.820 8.325 1.00 0.00 N ATOM 721 CA ARG B 22 8.355 -3.289 8.581 1.00 0.00 C ATOM 722 C ARG B 22 7.416 -4.197 9.497 1.00 0.00 C ATOM 723 O ARG B 22 7.153 -3.859 10.655 1.00 0.00 O ATOM 724 CB ARG B 22 7.884 -2.953 7.132 1.00 0.00 C ATOM 725 CG ARG B 22 6.570 -2.173 6.934 1.00 0.00 C ATOM 726 CD ARG B 22 6.696 -0.648 7.026 1.00 0.00 C ATOM 727 NE ARG B 22 7.313 -0.046 5.817 1.00 0.00 N ATOM 728 CZ ARG B 22 8.525 0.500 5.750 1.00 0.00 C ATOM 729 NH1 ARG B 22 9.381 0.537 6.728 1.00 0.00 N ATOM 730 NH2 ARG B 22 8.867 1.038 4.635 1.00 0.00 N ATOM 0 H ARG B 22 10.228 -3.339 7.571 1.00 0.00 H new ATOM 0 HA ARG B 22 8.319 -2.414 9.230 1.00 0.00 H new ATOM 0 HB2 ARG B 22 8.680 -2.384 6.651 1.00 0.00 H new ATOM 0 HB3 ARG B 22 7.793 -3.894 6.590 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.158 -2.429 5.958 1.00 0.00 H new ATOM 0 HG3 ARG B 22 5.851 -2.508 7.682 1.00 0.00 H new ATOM 0 HD2 ARG B 22 5.707 -0.215 7.177 1.00 0.00 H new ATOM 0 HD3 ARG B 22 7.294 -0.390 7.900 1.00 0.00 H new ATOM 0 HE ARG B 22 6.758 -0.051 4.961 1.00 0.00 H new ATOM 0 HH11 ARG B 22 9.142 0.127 7.631 1.00 0.00 H new ATOM 0 HH12 ARG B 22 10.292 0.976 6.592 1.00 0.00 H new ATOM 0 HH21 ARG B 22 8.219 1.035 3.847 1.00 0.00 H new ATOM 0 HH22 ARG B 22 9.786 1.469 4.537 1.00 0.00 H new ATOM 731 N ALA B 23 7.200 -5.476 9.096 1.00 0.00 N ATOM 732 CA ALA B 23 6.718 -6.547 10.008 1.00 0.00 C ATOM 733 C ALA B 23 7.590 -6.865 11.298 1.00 0.00 C ATOM 734 O ALA B 23 7.226 -6.442 12.395 1.00 0.00 O ATOM 735 CB ALA B 23 6.353 -7.737 9.081 1.00 0.00 C ATOM 0 H ALA B 23 7.354 -5.793 8.139 1.00 0.00 H new ATOM 0 HA ALA B 23 5.840 -6.207 10.557 1.00 0.00 H new ATOM 0 HB1 ALA B 23 5.988 -8.569 9.683 1.00 0.00 H new ATOM 0 HB2 ALA B 23 5.577 -7.428 8.381 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.237 -8.051 8.527 1.00 0.00 H new ATOM 736 N GLU B 24 8.711 -7.592 11.180 1.00 0.00 N ATOM 737 CA GLU B 24 9.643 -7.959 12.301 1.00 0.00 C ATOM 738 C GLU B 24 10.359 -6.809 13.101 1.00 0.00 C ATOM 739 O GLU B 24 10.450 -6.874 14.328 1.00 0.00 O ATOM 740 CB GLU B 24 10.717 -8.947 11.753 1.00 0.00 C ATOM 741 CG GLU B 24 10.209 -10.290 11.161 1.00 0.00 C ATOM 742 CD GLU B 24 11.301 -11.198 10.599 1.00 0.00 C ATOM 743 OE1 GLU B 24 11.998 -10.615 9.586 1.00 0.00 O ATOM 744 OE2 GLU B 24 11.514 -12.337 10.996 1.00 0.00 O ATOM 0 H GLU B 24 9.020 -7.961 10.281 1.00 0.00 H new ATOM 0 HA GLU B 24 8.978 -8.392 13.048 1.00 0.00 H new ATOM 0 HB2 GLU B 24 11.287 -8.431 10.980 1.00 0.00 H new ATOM 0 HB3 GLU B 24 11.410 -9.175 12.562 1.00 0.00 H new ATOM 0 HG2 GLU B 24 9.670 -10.832 11.938 1.00 0.00 H new ATOM 0 HG3 GLU B 24 9.493 -10.073 10.368 1.00 0.00 H new ATOM 745 N ALA B 25 10.865 -5.777 12.407 1.00 0.00 N ATOM 746 CA ALA B 25 11.156 -4.428 12.962 1.00 0.00 C ATOM 747 C ALA B 25 10.094 -3.860 13.993 1.00 0.00 C ATOM 748 O ALA B 25 10.481 -3.434 15.083 1.00 0.00 O ATOM 749 CB ALA B 25 11.276 -3.432 11.784 1.00 0.00 C ATOM 0 H ALA B 25 11.092 -5.851 11.415 1.00 0.00 H new ATOM 0 HA ALA B 25 12.080 -4.539 13.530 1.00 0.00 H new ATOM 0 HB1 ALA B 25 11.490 -2.435 12.170 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.084 -3.746 11.123 1.00 0.00 H new ATOM 0 HB3 ALA B 25 10.339 -3.412 11.227 1.00 0.00 H new ATOM 750 N ASN B 26 8.772 -3.875 13.656 1.00 0.00 N ATOM 751 CA ASN B 26 7.694 -3.465 14.612 1.00 0.00 C ATOM 752 C ASN B 26 7.226 -4.556 15.644 1.00 0.00 C ATOM 753 O ASN B 26 7.018 -4.259 16.822 1.00 0.00 O ATOM 754 CB ASN B 26 6.437 -3.017 13.813 1.00 0.00 C ATOM 755 CG ASN B 26 6.558 -1.843 12.853 1.00 0.00 C ATOM 756 OD1 ASN B 26 7.451 -1.005 12.885 1.00 0.00 O ATOM 757 ND2 ASN B 26 5.636 -1.773 11.934 1.00 0.00 N ATOM 0 H ASN B 26 8.427 -4.163 12.740 1.00 0.00 H new ATOM 0 HA ASN B 26 8.149 -2.665 15.196 1.00 0.00 H new ATOM 0 HB2 ASN B 26 6.086 -3.876 13.241 1.00 0.00 H new ATOM 0 HB3 ASN B 26 5.657 -2.774 14.534 1.00 0.00 H new ATOM 0 HD21 ASN B 26 5.659 -1.022 11.244 1.00 0.00 H new ATOM 0 HD22 ASN B 26 4.891 -2.469 11.905 1.00 0.00 H new ATOM 758 N GLY B 27 6.927 -5.774 15.167 1.00 0.00 N ATOM 759 CA GLY B 27 5.884 -6.657 15.778 1.00 0.00 C ATOM 760 C GLY B 27 4.553 -6.898 14.998 1.00 0.00 C ATOM 761 O GLY B 27 3.606 -7.427 15.583 1.00 0.00 O ATOM 0 H GLY B 27 7.388 -6.185 14.355 1.00 0.00 H new ATOM 0 HA2 GLY B 27 6.341 -7.630 15.961 1.00 0.00 H new ATOM 0 HA3 GLY B 27 5.626 -6.239 16.751 1.00 0.00 H new ATOM 762 N ARG B 28 4.463 -6.583 13.693 1.00 0.00 N ATOM 763 CA ARG B 28 3.395 -7.106 12.795 1.00 0.00 C ATOM 764 C ARG B 28 4.045 -8.312 12.023 1.00 0.00 C ATOM 765 O ARG B 28 5.266 -8.461 11.947 1.00 0.00 O ATOM 766 CB ARG B 28 2.864 -5.885 11.996 1.00 0.00 C ATOM 767 CG ARG B 28 1.929 -4.887 12.747 1.00 0.00 C ATOM 768 CD ARG B 28 1.979 -3.438 12.197 1.00 0.00 C ATOM 769 NE ARG B 28 0.682 -2.811 11.831 1.00 0.00 N ATOM 770 CZ ARG B 28 -0.184 -2.294 12.710 1.00 0.00 C ATOM 771 NH1 ARG B 28 -0.037 -2.339 13.996 1.00 0.00 N ATOM 772 NH2 ARG B 28 -1.231 -1.697 12.265 1.00 0.00 N ATOM 0 H ARG B 28 5.122 -5.961 13.224 1.00 0.00 H new ATOM 0 HA ARG B 28 2.500 -7.527 13.253 1.00 0.00 H new ATOM 0 HB2 ARG B 28 3.723 -5.327 11.624 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.326 -6.260 11.125 1.00 0.00 H new ATOM 0 HG2 ARG B 28 0.904 -5.252 12.688 1.00 0.00 H new ATOM 0 HG3 ARG B 28 2.202 -4.874 13.802 1.00 0.00 H new ATOM 0 HD2 ARG B 28 2.461 -2.808 12.945 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.619 -3.432 11.315 1.00 0.00 H new ATOM 0 HE ARG B 28 0.435 -2.772 10.842 1.00 0.00 H new ATOM 0 HH11 ARG B 28 0.783 -2.792 14.400 1.00 0.00 H new ATOM 0 HH12 ARG B 28 -0.741 -1.922 14.605 1.00 0.00 H new ATOM 0 HH21 ARG B 28 -1.388 -1.625 11.260 1.00 0.00 H new ATOM 0 HH22 ARG B 28 -1.905 -1.295 12.917 1.00 0.00 H new ATOM 773 N SER B 29 3.268 -9.269 11.522 1.00 0.00 N ATOM 774 CA SER B 29 3.845 -10.524 10.929 1.00 0.00 C ATOM 775 C SER B 29 3.325 -10.581 9.486 1.00 0.00 C ATOM 776 O SER B 29 2.117 -10.632 9.355 1.00 0.00 O ATOM 777 CB SER B 29 3.421 -11.722 11.807 1.00 0.00 C ATOM 778 OG SER B 29 3.982 -12.934 11.302 1.00 0.00 O ATOM 0 H SER B 29 2.249 -9.224 11.503 1.00 0.00 H new ATOM 0 HA SER B 29 4.934 -10.548 10.904 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.749 -11.562 12.834 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.334 -11.798 11.828 1.00 0.00 H new ATOM 0 HG SER B 29 3.706 -13.684 11.870 1.00 0.00 H new ATOM 779 N MET B 30 4.126 -10.437 8.418 1.00 0.00 N ATOM 780 CA MET B 30 3.669 -9.771 7.148 1.00 0.00 C ATOM 781 C MET B 30 2.265 -10.059 6.539 1.00 0.00 C ATOM 782 O MET B 30 1.691 -9.173 5.917 1.00 0.00 O ATOM 783 CB MET B 30 4.595 -10.115 5.981 1.00 0.00 C ATOM 784 CG MET B 30 5.972 -9.549 5.991 1.00 0.00 C ATOM 785 SD MET B 30 6.917 -10.491 4.784 1.00 0.00 S ATOM 786 CE MET B 30 6.968 -9.248 3.507 1.00 0.00 C ATOM 0 H MET B 30 5.091 -10.765 8.390 1.00 0.00 H new ATOM 0 HA MET B 30 3.660 -8.747 7.521 1.00 0.00 H new ATOM 0 HB2 MET B 30 4.681 -11.201 5.931 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.108 -9.791 5.061 1.00 0.00 H new ATOM 0 HG2 MET B 30 5.959 -8.490 5.733 1.00 0.00 H new ATOM 0 HG3 MET B 30 6.418 -9.630 6.982 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.831 -9.720 2.534 1.00 0.00 H new ATOM 0 HE2 MET B 30 6.172 -8.522 3.674 1.00 0.00 H new ATOM 0 HE3 MET B 30 7.932 -8.741 3.531 1.00 0.00 H new ATOM 787 N ASN B 31 1.664 -11.242 6.654 1.00 0.00 N ATOM 788 CA ASN B 31 0.195 -11.336 6.486 1.00 0.00 C ATOM 789 C ASN B 31 -0.636 -10.291 7.357 1.00 0.00 C ATOM 790 O ASN B 31 -1.312 -9.455 6.769 1.00 0.00 O ATOM 791 CB ASN B 31 -0.266 -12.809 6.558 1.00 0.00 C ATOM 792 CG ASN B 31 -1.734 -13.039 6.207 1.00 0.00 C ATOM 793 OD1 ASN B 31 -2.488 -13.629 6.968 1.00 0.00 O ATOM 794 ND2 ASN B 31 -2.188 -12.561 5.078 1.00 0.00 N ATOM 0 H ASN B 31 2.138 -12.122 6.854 1.00 0.00 H new ATOM 0 HA ASN B 31 -0.050 -11.002 5.478 1.00 0.00 H new ATOM 0 HB2 ASN B 31 0.351 -13.402 5.883 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -0.085 -13.183 7.566 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -3.171 -12.680 4.832 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -1.559 -12.069 4.443 1.00 0.00 H new ATOM 795 N SER B 32 -0.414 -10.196 8.686 1.00 0.00 N ATOM 796 CA SER B 32 -0.496 -8.901 9.440 1.00 0.00 C ATOM 797 C SER B 32 0.196 -7.667 8.792 1.00 0.00 C ATOM 798 O SER B 32 -0.541 -6.848 8.252 1.00 0.00 O ATOM 799 CB SER B 32 -0.216 -9.077 10.954 1.00 0.00 C ATOM 800 OG SER B 32 -0.139 -7.822 11.640 1.00 0.00 O ATOM 0 H SER B 32 -0.175 -10.997 9.271 1.00 0.00 H new ATOM 0 HA SER B 32 -1.545 -8.618 9.350 1.00 0.00 H new ATOM 0 HB2 SER B 32 -1.004 -9.685 11.399 1.00 0.00 H new ATOM 0 HB3 SER B 32 0.719 -9.620 11.088 1.00 0.00 H new ATOM 0 HG SER B 32 -0.965 -7.317 11.491 1.00 0.00 H new ATOM 801 N GLU B 33 1.524 -7.457 8.817 1.00 0.00 N ATOM 802 CA GLU B 33 2.059 -6.113 8.403 1.00 0.00 C ATOM 803 C GLU B 33 1.902 -5.748 6.917 1.00 0.00 C ATOM 804 O GLU B 33 1.493 -4.631 6.624 1.00 0.00 O ATOM 805 CB GLU B 33 3.552 -5.878 8.592 1.00 0.00 C ATOM 806 CG GLU B 33 4.060 -4.416 8.313 1.00 0.00 C ATOM 807 CD GLU B 33 3.476 -3.164 8.967 1.00 0.00 C ATOM 808 OE1 GLU B 33 2.126 -3.075 8.876 1.00 0.00 O ATOM 809 OE2 GLU B 33 4.165 -2.310 9.504 1.00 0.00 O ATOM 0 H GLU B 33 2.224 -8.143 9.099 1.00 0.00 H new ATOM 0 HA GLU B 33 1.440 -5.519 9.075 1.00 0.00 H new ATOM 0 HB2 GLU B 33 3.815 -6.144 9.616 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.093 -6.561 7.937 1.00 0.00 H new ATOM 0 HG2 GLU B 33 5.124 -4.414 8.550 1.00 0.00 H new ATOM 0 HG3 GLU B 33 3.973 -4.265 7.237 1.00 0.00 H new ATOM 810 N LEU B 34 2.344 -6.605 5.972 1.00 0.00 N ATOM 811 CA LEU B 34 2.040 -6.395 4.554 1.00 0.00 C ATOM 812 C LEU B 34 0.498 -6.137 4.425 1.00 0.00 C ATOM 813 O LEU B 34 0.214 -5.148 3.782 1.00 0.00 O ATOM 814 CB LEU B 34 2.952 -7.260 3.627 1.00 0.00 C ATOM 815 CG LEU B 34 2.375 -8.145 2.549 1.00 0.00 C ATOM 816 CD1 LEU B 34 1.634 -7.290 1.495 1.00 0.00 C ATOM 817 CD2 LEU B 34 3.200 -9.039 1.663 1.00 0.00 C ATOM 0 H LEU B 34 2.904 -7.435 6.168 1.00 0.00 H new ATOM 0 HA LEU B 34 2.368 -5.483 4.054 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.644 -6.575 3.137 1.00 0.00 H new ATOM 0 HB3 LEU B 34 3.546 -7.902 4.278 1.00 0.00 H new ATOM 0 HG LEU B 34 1.829 -8.805 3.222 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.223 -7.940 0.723 1.00 0.00 H new ATOM 0 HD12 LEU B 34 0.825 -6.741 1.976 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.332 -6.586 1.042 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.546 -9.570 0.972 1.00 0.00 H new ATOM 0 HD22 LEU B 34 3.911 -8.436 1.099 1.00 0.00 H new ATOM 0 HD23 LEU B 34 3.741 -9.759 2.276 1.00 0.00 H new ATOM 818 N LEU B 35 -0.494 -6.737 5.159 1.00 0.00 N ATOM 819 CA LEU B 35 -1.878 -6.174 5.153 1.00 0.00 C ATOM 820 C LEU B 35 -2.023 -4.784 5.783 1.00 0.00 C ATOM 821 O LEU B 35 -2.611 -3.902 5.176 1.00 0.00 O ATOM 822 CB LEU B 35 -2.955 -7.094 5.765 1.00 0.00 C ATOM 823 CG LEU B 35 -3.491 -8.217 4.871 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.576 -8.940 5.654 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.086 -7.648 3.568 1.00 0.00 C ATOM 0 H LEU B 35 -0.368 -7.570 5.734 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.055 -6.086 4.081 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.544 -7.545 6.668 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.797 -6.474 6.073 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.681 -8.894 4.598 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.984 -9.750 5.048 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -4.151 -9.350 6.570 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.372 -8.239 5.905 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.459 -8.465 2.951 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -4.906 -6.971 3.808 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.314 -7.105 3.022 1.00 0.00 H new ATOM 826 N GLN B 36 -1.528 -4.588 6.992 1.00 0.00 N ATOM 827 CA GLN B 36 -1.665 -3.305 7.711 1.00 0.00 C ATOM 828 C GLN B 36 -0.981 -2.101 7.028 1.00 0.00 C ATOM 829 O GLN B 36 -1.624 -1.059 6.982 1.00 0.00 O ATOM 830 CB GLN B 36 -1.239 -3.487 9.185 1.00 0.00 C ATOM 831 CG GLN B 36 -2.324 -4.057 10.129 1.00 0.00 C ATOM 832 CD GLN B 36 -2.663 -5.535 10.007 1.00 0.00 C ATOM 833 OE1 GLN B 36 -2.250 -6.386 10.789 1.00 0.00 O ATOM 834 NE2 GLN B 36 -3.399 -5.891 8.995 1.00 0.00 N ATOM 0 H GLN B 36 -1.019 -5.302 7.513 1.00 0.00 H new ATOM 0 HA GLN B 36 -2.721 -3.036 7.679 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -0.373 -4.148 9.215 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -0.916 -2.521 9.573 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -2.008 -3.869 11.155 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -3.240 -3.489 9.969 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -3.744 -5.187 8.343 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -3.631 -6.874 8.854 1.00 0.00 H new ATOM 835 N ILE B 37 0.210 -2.251 6.431 1.00 0.00 N ATOM 836 CA ILE B 37 0.709 -1.333 5.388 1.00 0.00 C ATOM 837 C ILE B 37 -0.022 -1.371 3.997 1.00 0.00 C ATOM 838 O ILE B 37 0.064 -0.349 3.370 1.00 0.00 O ATOM 839 CB ILE B 37 2.267 -1.474 5.211 1.00 0.00 C ATOM 840 CG1 ILE B 37 2.937 -0.112 4.861 1.00 0.00 C ATOM 841 CG2 ILE B 37 2.613 -2.575 4.182 1.00 0.00 C ATOM 842 CD1 ILE B 37 4.360 -0.153 4.283 1.00 0.00 C ATOM 0 H ILE B 37 0.855 -3.009 6.654 1.00 0.00 H new ATOM 0 HA ILE B 37 0.459 -0.346 5.778 1.00 0.00 H new ATOM 0 HB ILE B 37 2.681 -1.785 6.170 1.00 0.00 H new ATOM 0 HG12 ILE B 37 2.297 0.404 4.145 1.00 0.00 H new ATOM 0 HG13 ILE B 37 2.958 0.496 5.766 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.696 -2.650 4.080 1.00 0.00 H new ATOM 0 HG22 ILE B 37 2.213 -3.530 4.523 1.00 0.00 H new ATOM 0 HG23 ILE B 37 2.174 -2.322 3.217 1.00 0.00 H new ATOM 0 HD11 ILE B 37 4.702 0.863 4.086 1.00 0.00 H new ATOM 0 HD12 ILE B 37 5.030 -0.629 4.999 1.00 0.00 H new ATOM 0 HD13 ILE B 37 4.359 -0.722 3.353 1.00 0.00 H new ATOM 843 N VAL B 38 -0.568 -2.463 3.432 1.00 0.00 N ATOM 844 CA VAL B 38 -1.240 -2.531 2.078 1.00 0.00 C ATOM 845 C VAL B 38 -2.692 -1.934 2.104 1.00 0.00 C ATOM 846 O VAL B 38 -3.050 -1.079 1.287 1.00 0.00 O ATOM 847 CB VAL B 38 -1.321 -4.023 1.596 1.00 0.00 C ATOM 848 CG1 VAL B 38 -2.433 -4.595 0.679 1.00 0.00 C ATOM 849 CG2 VAL B 38 0.020 -4.499 1.002 1.00 0.00 C ATOM 0 H VAL B 38 -0.565 -3.366 3.906 1.00 0.00 H new ATOM 0 HA VAL B 38 -0.637 -1.936 1.393 1.00 0.00 H new ATOM 0 HB VAL B 38 -1.617 -4.419 2.567 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.248 -5.654 0.501 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -3.402 -4.472 1.162 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -2.431 -4.061 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.073 -5.536 0.679 1.00 0.00 H new ATOM 0 HG22 VAL B 38 0.282 -3.875 0.148 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.801 -4.423 1.759 1.00 0.00 H new ATOM 850 N GLN B 39 -3.512 -2.403 3.084 1.00 0.00 N ATOM 851 CA GLN B 39 -4.650 -1.641 3.650 1.00 0.00 C ATOM 852 C GLN B 39 -4.253 -0.180 4.013 1.00 0.00 C ATOM 853 O GLN B 39 -4.959 0.716 3.562 1.00 0.00 O ATOM 854 CB GLN B 39 -5.206 -2.369 4.913 1.00 0.00 C ATOM 855 CG GLN B 39 -5.793 -3.796 4.748 1.00 0.00 C ATOM 856 CD GLN B 39 -6.171 -4.618 5.995 1.00 0.00 C ATOM 857 OE1 GLN B 39 -6.477 -5.799 5.898 1.00 0.00 O ATOM 858 NE2 GLN B 39 -6.186 -4.089 7.193 1.00 0.00 N ATOM 0 H GLN B 39 -3.398 -3.326 3.503 1.00 0.00 H new ATOM 0 HA GLN B 39 -5.423 -1.592 2.883 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.400 -2.425 5.645 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -5.984 -1.738 5.343 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -6.688 -3.710 4.132 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -5.070 -4.381 4.180 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -5.938 -3.108 7.320 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -6.446 -4.658 7.999 1.00 0.00 H new ATOM 859 N ASP B 40 -3.087 0.084 4.670 1.00 0.00 N ATOM 860 CA ASP B 40 -2.436 1.424 4.563 1.00 0.00 C ATOM 861 C ASP B 40 -2.275 2.020 3.136 1.00 0.00 C ATOM 862 O ASP B 40 -2.712 3.143 2.874 1.00 0.00 O ATOM 863 CB ASP B 40 -1.360 1.792 5.631 1.00 0.00 C ATOM 864 CG ASP B 40 -0.077 2.490 5.220 1.00 0.00 C ATOM 865 OD1 ASP B 40 -0.027 3.374 4.374 1.00 0.00 O ATOM 866 OD2 ASP B 40 0.981 2.117 5.987 1.00 0.00 O ATOM 0 H ASP B 40 -2.593 -0.586 5.259 1.00 0.00 H new ATOM 0 HA ASP B 40 -3.246 2.054 4.929 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -1.847 2.424 6.374 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -1.077 0.868 6.135 1.00 0.00 H new ATOM 867 N ALA B 41 -1.601 1.291 2.254 1.00 0.00 N ATOM 868 CA ALA B 41 -0.847 1.883 1.150 1.00 0.00 C ATOM 869 C ALA B 41 -1.707 2.499 0.027 1.00 0.00 C ATOM 870 O ALA B 41 -1.512 3.661 -0.337 1.00 0.00 O ATOM 871 CB ALA B 41 0.230 0.845 0.743 1.00 0.00 C ATOM 0 H ALA B 41 -1.560 0.272 2.282 1.00 0.00 H new ATOM 0 HA ALA B 41 -0.337 2.793 1.467 1.00 0.00 H new ATOM 0 HB1 ALA B 41 0.823 1.240 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA B 41 0.881 0.643 1.594 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -0.255 -0.079 0.430 1.00 0.00 H new ATOM 872 N LEU B 42 -2.747 1.770 -0.379 1.00 0.00 N ATOM 873 CA LEU B 42 -3.915 2.401 -1.056 1.00 0.00 C ATOM 874 C LEU B 42 -5.062 2.985 -0.169 1.00 0.00 C ATOM 875 O LEU B 42 -5.725 3.918 -0.635 1.00 0.00 O ATOM 876 CB LEU B 42 -4.393 1.527 -2.256 1.00 0.00 C ATOM 877 CG LEU B 42 -4.528 -0.011 -2.093 1.00 0.00 C ATOM 878 CD1 LEU B 42 -5.513 -0.408 -0.993 1.00 0.00 C ATOM 879 CD2 LEU B 42 -4.947 -0.654 -3.427 1.00 0.00 C ATOM 0 H LEU B 42 -2.819 0.759 -0.261 1.00 0.00 H new ATOM 0 HA LEU B 42 -3.520 3.340 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -5.367 1.907 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.704 1.706 -3.082 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.547 -0.381 -1.795 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -5.565 -1.495 -0.926 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -5.177 -0.001 -0.039 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -6.501 -0.011 -1.228 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -5.038 -1.733 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -5.906 -0.244 -3.743 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.194 -0.441 -4.186 1.00 0.00 H new