USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=13 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= -2.15 (180deg=-6.86!) USER MOD Set 1.2: B 30 MET CE :methyl 179:sc= -6.19! (180deg=-6.35!) USER MOD Set 2.1: A 32 SER OG : rot 62:sc= 1.24 USER MOD Set 2.2: A 36 GLN : amide:sc= 1.04 K(o=2.3,f=-1.7) USER MOD Set 3.1: A 11 MET CE :methyl -178:sc= -1.73 (180deg=-1.76) USER MOD Set 3.2: A 30 MET CE :methyl 161:sc= -4.29! (180deg=-4.41!) USER MOD Single : A 6 HIS : no HD1:sc=-0.00121 X(o=-0.0012,f=-0.0012) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -140:sc= 0.0646 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00839) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0162 X(o=-0.016,f=-0.33) USER MOD Single : B 6 HIS : no HD1:sc=-0.00701 X(o=-0.007,f=-0.31) USER MOD Single : B 8 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.29) USER MOD Single : B 13 MET CE :methyl -157:sc= -0.473 (180deg=-1.95!) USER MOD Single : B 18 LYS NZ :NH3+ 149:sc= 0.359 (180deg=-0.348) USER MOD Single : B 20 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0101) USER MOD Single : B 26 ASN : amide:sc= -0.0791 K(o=-0.079,f=-2.2!) USER MOD Single : B 29 SER OG : rot 56:sc= 1.25 USER MOD Single : B 31 ASN : amide:sc= -0.339 K(o=-0.34,f=-1.4) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 36 GLN : amide:sc= -1.02 K(o=-1,f=-2.1) USER MOD Single : B 39 GLN : amide:sc= -0.0628 X(o=-0.063,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 25 N ASP A 4 14.320 -14.019 -4.689 1.00 0.00 N ATOM 26 CA ASP A 4 12.986 -13.419 -4.942 1.00 0.00 C ATOM 27 C ASP A 4 11.912 -14.282 -4.190 1.00 0.00 C ATOM 28 O ASP A 4 11.356 -15.201 -4.801 1.00 0.00 O ATOM 29 CB ASP A 4 12.683 -13.243 -6.455 1.00 0.00 C ATOM 30 CG ASP A 4 13.748 -12.728 -7.431 1.00 0.00 C ATOM 31 OD1 ASP A 4 14.673 -13.678 -7.735 1.00 0.00 O ATOM 32 OD2 ASP A 4 13.764 -11.594 -7.896 1.00 0.00 O ATOM 0 HA ASP A 4 12.963 -12.402 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.355 -14.213 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.831 -12.568 -6.531 1.00 0.00 H new ATOM 33 N PRO A 5 11.632 -14.119 -2.863 1.00 0.00 N ATOM 34 CA PRO A 5 11.086 -15.230 -2.041 1.00 0.00 C ATOM 35 C PRO A 5 9.556 -15.154 -1.827 1.00 0.00 C ATOM 36 O PRO A 5 8.973 -14.074 -1.673 1.00 0.00 O ATOM 37 CB PRO A 5 11.888 -15.095 -0.725 1.00 0.00 C ATOM 38 CG PRO A 5 12.884 -13.960 -0.961 1.00 0.00 C ATOM 39 CD PRO A 5 12.215 -13.083 -1.993 1.00 0.00 C ATOM 0 HA PRO A 5 11.200 -16.202 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.229 -14.869 0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.404 -16.024 -0.484 1.00 0.00 H new ATOM 0 HG2 PRO A 5 13.085 -13.410 -0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 5 13.840 -14.339 -1.321 1.00 0.00 H new ATOM 0 HD2 PRO A 5 11.459 -12.429 -1.558 1.00 0.00 H new ATOM 0 HD3 PRO A 5 12.923 -12.445 -2.521 1.00 0.00 H new ATOM 40 N HIS A 6 8.950 -16.342 -1.753 1.00 0.00 N ATOM 41 CA HIS A 6 7.523 -16.518 -1.405 1.00 0.00 C ATOM 42 C HIS A 6 7.193 -16.134 0.075 1.00 0.00 C ATOM 43 O HIS A 6 7.786 -16.660 1.024 1.00 0.00 O ATOM 44 CB HIS A 6 7.162 -18.021 -1.616 1.00 0.00 C ATOM 45 CG HIS A 6 7.093 -18.514 -3.056 1.00 0.00 C ATOM 46 ND1 HIS A 6 8.167 -19.057 -3.741 1.00 0.00 N ATOM 47 CD2 HIS A 6 5.968 -18.417 -3.882 1.00 0.00 C ATOM 48 CE1 HIS A 6 7.579 -19.219 -4.972 1.00 0.00 C ATOM 49 NE2 HIS A 6 6.260 -18.891 -5.148 1.00 0.00 N ATOM 0 H HIS A 6 9.434 -17.222 -1.933 1.00 0.00 H new ATOM 0 HA HIS A 6 6.943 -15.853 -2.044 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.897 -18.625 -1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 6 6.196 -18.208 -1.146 1.00 0.00 H new ATOM 0 HD2 HIS A 6 5.009 -18.028 -3.575 1.00 0.00 H new ATOM 0 HE1 HIS A 6 8.155 -19.604 -5.800 1.00 0.00 H new ATOM 0 HE2 HIS A 6 5.666 -18.973 -5.973 1.00 0.00 H new ATOM 50 N PHE A 7 6.080 -15.434 0.301 1.00 0.00 N ATOM 51 CA PHE A 7 4.988 -16.056 1.092 1.00 0.00 C ATOM 52 C PHE A 7 3.674 -16.129 0.251 1.00 0.00 C ATOM 53 O PHE A 7 3.548 -15.546 -0.831 1.00 0.00 O ATOM 54 CB PHE A 7 4.924 -15.431 2.512 1.00 0.00 C ATOM 55 CG PHE A 7 4.412 -13.993 2.702 1.00 0.00 C ATOM 56 CD1 PHE A 7 5.219 -12.873 2.433 1.00 0.00 C ATOM 57 CD2 PHE A 7 3.167 -13.796 3.310 1.00 0.00 C ATOM 58 CE1 PHE A 7 4.800 -11.602 2.804 1.00 0.00 C ATOM 59 CE2 PHE A 7 2.757 -12.524 3.660 1.00 0.00 C ATOM 60 CZ PHE A 7 3.579 -11.444 3.443 1.00 0.00 C ATOM 0 H PHE A 7 5.903 -14.485 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 7 5.188 -17.106 1.304 1.00 0.00 H new ATOM 0 HB2 PHE A 7 4.297 -16.081 3.123 1.00 0.00 H new ATOM 0 HB3 PHE A 7 5.930 -15.474 2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 7 6.169 -13.002 1.936 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.524 -14.641 3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 7 5.420 -10.743 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.785 -12.377 4.107 1.00 0.00 H new ATOM 0 HZ PHE A 7 3.271 -10.463 3.773 1.00 0.00 H new ATOM 61 N ASN A 8 2.672 -16.881 0.719 1.00 0.00 N ATOM 62 CA ASN A 8 1.304 -16.766 0.147 1.00 0.00 C ATOM 63 C ASN A 8 0.535 -15.679 0.951 1.00 0.00 C ATOM 64 O ASN A 8 -0.093 -15.998 1.966 1.00 0.00 O ATOM 65 CB ASN A 8 0.615 -18.154 0.104 1.00 0.00 C ATOM 66 CG ASN A 8 1.134 -19.123 -0.964 1.00 0.00 C ATOM 67 OD1 ASN A 8 1.777 -18.772 -1.947 1.00 0.00 O ATOM 68 ND2 ASN A 8 0.840 -20.389 -0.827 1.00 0.00 N ATOM 0 H ASN A 8 2.766 -17.562 1.472 1.00 0.00 H new ATOM 0 HA ASN A 8 1.327 -16.440 -0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.728 -18.625 1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.453 -18.004 -0.056 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.145 -21.062 -1.530 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.306 -20.704 -0.017 1.00 0.00 H new ATOM 69 N PHE A 9 0.588 -14.397 0.517 1.00 0.00 N ATOM 70 CA PHE A 9 -0.295 -13.356 1.065 1.00 0.00 C ATOM 71 C PHE A 9 -1.797 -13.638 0.769 1.00 0.00 C ATOM 72 O PHE A 9 -2.222 -14.352 -0.131 1.00 0.00 O ATOM 73 CB PHE A 9 0.242 -11.972 0.620 1.00 0.00 C ATOM 74 CG PHE A 9 -0.322 -10.770 1.398 1.00 0.00 C ATOM 75 CD1 PHE A 9 -0.373 -10.761 2.804 1.00 0.00 C ATOM 76 CD2 PHE A 9 -0.579 -9.573 0.721 1.00 0.00 C ATOM 77 CE1 PHE A 9 -0.662 -9.600 3.494 1.00 0.00 C ATOM 78 CE2 PHE A 9 -0.963 -8.437 1.409 1.00 0.00 C ATOM 79 CZ PHE A 9 -0.901 -8.438 2.784 1.00 0.00 C ATOM 0 H PHE A 9 1.229 -14.067 -0.205 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.272 -13.361 2.155 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.327 -11.972 0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.019 -11.837 -0.438 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.184 -11.673 3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.476 -9.536 -0.353 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.701 -9.600 4.573 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.306 -7.563 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.042 -7.511 3.320 1.00 0.00 H new ATOM 80 N ARG A 10 -2.572 -13.139 1.695 1.00 0.00 N ATOM 81 CA ARG A 10 -3.766 -13.832 2.235 1.00 0.00 C ATOM 82 C ARG A 10 -4.741 -12.752 2.767 1.00 0.00 C ATOM 83 O ARG A 10 -4.582 -12.224 3.876 1.00 0.00 O ATOM 84 CB ARG A 10 -3.272 -14.815 3.331 1.00 0.00 C ATOM 85 CG ARG A 10 -4.223 -15.963 3.682 1.00 0.00 C ATOM 86 CD ARG A 10 -5.473 -15.604 4.493 1.00 0.00 C ATOM 87 NE ARG A 10 -6.055 -16.822 5.124 1.00 0.00 N ATOM 88 CZ ARG A 10 -5.735 -17.321 6.309 1.00 0.00 C ATOM 89 NH1 ARG A 10 -4.826 -16.824 7.091 1.00 0.00 N ATOM 90 NH2 ARG A 10 -6.381 -18.361 6.700 1.00 0.00 N ATOM 0 H ARG A 10 -2.409 -12.225 2.118 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.306 -14.413 1.487 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.323 -15.242 3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.072 -14.245 4.238 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.545 -16.433 2.753 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.660 -16.712 4.240 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.217 -14.876 5.263 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.212 -15.135 3.844 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.769 -17.320 4.592 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.305 -15.995 6.805 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.633 -17.262 7.992 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.104 -18.766 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.171 -18.782 7.605 1.00 0.00 H new ATOM 91 N MET A 11 -5.688 -12.355 1.920 1.00 0.00 N ATOM 92 CA MET A 11 -6.383 -11.053 2.080 1.00 0.00 C ATOM 93 C MET A 11 -7.899 -11.241 2.397 1.00 0.00 C ATOM 94 O MET A 11 -8.618 -11.666 1.487 1.00 0.00 O ATOM 95 CB MET A 11 -6.182 -10.229 0.780 1.00 0.00 C ATOM 96 CG MET A 11 -4.923 -9.359 0.664 1.00 0.00 C ATOM 97 SD MET A 11 -3.495 -10.432 0.580 1.00 0.00 S ATOM 98 CE MET A 11 -2.962 -10.151 -1.108 1.00 0.00 C ATOM 0 H MET A 11 -5.999 -12.902 1.117 1.00 0.00 H new ATOM 0 HA MET A 11 -5.955 -10.519 2.929 1.00 0.00 H new ATOM 0 HB2 MET A 11 -6.186 -10.924 -0.060 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.049 -9.579 0.660 1.00 0.00 H new ATOM 0 HG2 MET A 11 -4.977 -8.731 -0.225 1.00 0.00 H new ATOM 0 HG3 MET A 11 -4.844 -8.691 1.522 1.00 0.00 H new ATOM 0 HE1 MET A 11 -2.098 -10.779 -1.326 1.00 0.00 H new ATOM 0 HE2 MET A 11 -3.773 -10.400 -1.792 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.690 -9.103 -1.234 1.00 0.00 H new ATOM 99 N PRO A 12 -8.471 -10.850 3.579 1.00 0.00 N ATOM 100 CA PRO A 12 -9.944 -10.648 3.738 1.00 0.00 C ATOM 101 C PRO A 12 -10.658 -9.909 2.564 1.00 0.00 C ATOM 102 O PRO A 12 -10.065 -9.030 1.928 1.00 0.00 O ATOM 103 CB PRO A 12 -10.023 -9.919 5.092 1.00 0.00 C ATOM 104 CG PRO A 12 -8.788 -10.399 5.860 1.00 0.00 C ATOM 105 CD PRO A 12 -7.701 -10.526 4.793 1.00 0.00 C ATOM 0 HA PRO A 12 -10.495 -11.588 3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -10.013 -8.837 4.961 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.942 -10.167 5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.502 -9.689 6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.973 -11.353 6.354 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -7.136 -9.601 4.679 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -6.983 -11.309 5.038 1.00 0.00 H new ATOM 106 N MET A 13 -11.872 -10.343 2.194 1.00 0.00 N ATOM 107 CA MET A 13 -12.418 -10.066 0.833 1.00 0.00 C ATOM 108 C MET A 13 -12.502 -8.576 0.353 1.00 0.00 C ATOM 109 O MET A 13 -12.254 -8.318 -0.823 1.00 0.00 O ATOM 110 CB MET A 13 -13.731 -10.870 0.659 1.00 0.00 C ATOM 111 CG MET A 13 -14.385 -10.818 -0.739 1.00 0.00 C ATOM 112 SD MET A 13 -13.209 -10.908 -2.116 1.00 0.00 S ATOM 113 CE MET A 13 -12.397 -12.497 -1.895 1.00 0.00 C ATOM 0 H MET A 13 -12.495 -10.879 2.798 1.00 0.00 H new ATOM 0 HA MET A 13 -11.659 -10.415 0.133 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.529 -11.913 0.903 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.454 -10.506 1.389 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.093 -11.642 -0.827 1.00 0.00 H new ATOM 0 HG3 MET A 13 -14.958 -9.895 -0.825 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.662 -12.643 -2.687 1.00 0.00 H new ATOM 0 HE2 MET A 13 -11.897 -12.518 -0.927 1.00 0.00 H new ATOM 0 HE3 MET A 13 -13.139 -13.294 -1.937 1.00 0.00 H new ATOM 114 N GLU A 14 -12.731 -7.597 1.243 1.00 0.00 N ATOM 115 CA GLU A 14 -12.440 -6.170 0.933 1.00 0.00 C ATOM 116 C GLU A 14 -10.948 -5.813 0.608 1.00 0.00 C ATOM 117 O GLU A 14 -10.737 -5.138 -0.388 1.00 0.00 O ATOM 118 CB GLU A 14 -13.112 -5.227 1.967 1.00 0.00 C ATOM 119 CG GLU A 14 -12.395 -5.084 3.334 1.00 0.00 C ATOM 120 CD GLU A 14 -13.098 -4.153 4.314 1.00 0.00 C ATOM 121 OE1 GLU A 14 -12.927 -2.939 4.349 1.00 0.00 O ATOM 122 OE2 GLU A 14 -13.941 -4.818 5.147 1.00 0.00 O ATOM 0 H GLU A 14 -13.112 -7.755 2.176 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.909 -5.991 -0.035 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.199 -4.236 1.521 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.126 -5.585 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.304 -6.070 3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.383 -4.717 3.164 1.00 0.00 H new ATOM 123 N VAL A 15 -9.911 -6.248 1.353 1.00 0.00 N ATOM 124 CA VAL A 15 -8.474 -6.044 0.960 1.00 0.00 C ATOM 125 C VAL A 15 -8.142 -6.639 -0.424 1.00 0.00 C ATOM 126 O VAL A 15 -7.537 -5.943 -1.226 1.00 0.00 O ATOM 127 CB VAL A 15 -7.444 -6.652 1.980 1.00 0.00 C ATOM 128 CG1 VAL A 15 -6.164 -5.811 2.040 1.00 0.00 C ATOM 129 CG2 VAL A 15 -7.889 -6.892 3.436 1.00 0.00 C ATOM 0 H VAL A 15 -10.028 -6.746 2.235 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.372 -4.959 0.944 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.305 -7.645 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.470 -6.255 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.701 -5.782 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.409 -4.797 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.061 -7.314 4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.192 -5.946 3.884 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.730 -7.586 3.450 1.00 0.00 H new ATOM 130 N ARG A 16 -8.497 -7.899 -0.713 1.00 0.00 N ATOM 131 CA ARG A 16 -8.277 -8.445 -2.062 1.00 0.00 C ATOM 132 C ARG A 16 -9.213 -7.901 -3.156 1.00 0.00 C ATOM 133 O ARG A 16 -8.707 -7.706 -4.244 1.00 0.00 O ATOM 134 CB ARG A 16 -8.187 -9.980 -2.106 1.00 0.00 C ATOM 135 CG ARG A 16 -6.998 -10.404 -3.007 1.00 0.00 C ATOM 136 CD ARG A 16 -7.296 -11.732 -3.673 1.00 0.00 C ATOM 137 NE ARG A 16 -6.190 -12.067 -4.600 1.00 0.00 N ATOM 138 CZ ARG A 16 -6.175 -13.126 -5.403 1.00 0.00 C ATOM 139 NH1 ARG A 16 -7.063 -14.076 -5.383 1.00 0.00 N ATOM 140 NH2 ARG A 16 -5.228 -13.208 -6.268 1.00 0.00 N ATOM 0 H ARG A 16 -8.927 -8.546 -0.051 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.289 -8.059 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.053 -10.376 -1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.117 -10.398 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.816 -9.642 -3.764 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -6.090 -10.484 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.407 -12.513 -2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.239 -11.677 -4.217 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.384 -11.442 -4.624 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.836 -14.037 -4.719 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.986 -14.860 -6.031 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.521 -12.475 -6.321 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.184 -14.006 -6.901 1.00 0.00 H new ATOM 141 N GLU A 17 -10.489 -7.559 -2.948 1.00 0.00 N ATOM 142 CA GLU A 17 -11.190 -6.671 -3.912 1.00 0.00 C ATOM 143 C GLU A 17 -10.564 -5.243 -4.054 1.00 0.00 C ATOM 144 O GLU A 17 -10.457 -4.762 -5.170 1.00 0.00 O ATOM 145 CB GLU A 17 -12.694 -6.564 -3.596 1.00 0.00 C ATOM 146 CG GLU A 17 -13.533 -7.821 -3.925 1.00 0.00 C ATOM 147 CD GLU A 17 -15.030 -7.635 -3.713 1.00 0.00 C ATOM 148 OE1 GLU A 17 -15.605 -6.958 -4.747 1.00 0.00 O ATOM 149 OE2 GLU A 17 -15.635 -8.048 -2.730 1.00 0.00 O ATOM 0 H GLU A 17 -11.051 -7.865 -2.153 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.057 -7.157 -4.878 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.810 -6.338 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.105 -5.719 -4.149 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.355 -8.104 -4.963 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.188 -8.649 -3.305 1.00 0.00 H new ATOM 150 N LYS A 18 -10.111 -4.569 -2.993 1.00 0.00 N ATOM 151 CA LYS A 18 -9.377 -3.282 -3.103 1.00 0.00 C ATOM 152 C LYS A 18 -7.957 -3.374 -3.751 1.00 0.00 C ATOM 153 O LYS A 18 -7.670 -2.618 -4.679 1.00 0.00 O ATOM 154 CB LYS A 18 -9.468 -2.529 -1.766 1.00 0.00 C ATOM 155 CG LYS A 18 -10.863 -2.132 -1.202 1.00 0.00 C ATOM 156 CD LYS A 18 -10.870 -1.489 0.210 1.00 0.00 C ATOM 157 CE LYS A 18 -10.220 -2.300 1.342 1.00 0.00 C ATOM 158 NZ LYS A 18 -10.419 -1.635 2.642 1.00 0.00 N ATOM 0 H LYS A 18 -10.236 -4.889 -2.033 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.878 -2.667 -3.851 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -8.974 -3.142 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.884 -1.614 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.329 -1.435 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.489 -3.024 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.364 -0.526 0.148 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.905 -1.288 0.487 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.649 -3.301 1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.154 -2.416 1.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.550 -1.712 3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.644 -0.631 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.204 -2.092 3.149 1.00 0.00 H new ATOM 159 N LEU A 19 -7.095 -4.306 -3.327 1.00 0.00 N ATOM 160 CA LEU A 19 -5.788 -4.602 -3.963 1.00 0.00 C ATOM 161 C LEU A 19 -5.946 -5.251 -5.388 1.00 0.00 C ATOM 162 O LEU A 19 -5.207 -4.890 -6.295 1.00 0.00 O ATOM 163 CB LEU A 19 -4.910 -5.247 -2.830 1.00 0.00 C ATOM 164 CG LEU A 19 -3.457 -4.781 -2.500 1.00 0.00 C ATOM 165 CD1 LEU A 19 -2.795 -5.913 -1.691 1.00 0.00 C ATOM 166 CD2 LEU A 19 -2.495 -4.308 -3.614 1.00 0.00 C ATOM 0 H LEU A 19 -7.283 -4.893 -2.514 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.206 -3.744 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.481 -5.151 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.848 -6.311 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.614 -3.840 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.774 -5.630 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.362 -6.086 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.781 -6.826 -2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.538 -4.029 -3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.343 -5.115 -4.330 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.925 -3.446 -4.124 1.00 0.00 H new ATOM 167 N LYS A 20 -6.929 -6.133 -5.654 1.00 0.00 N ATOM 168 CA LYS A 20 -7.145 -6.774 -6.967 1.00 0.00 C ATOM 169 C LYS A 20 -8.099 -6.003 -7.942 1.00 0.00 C ATOM 170 O LYS A 20 -7.978 -6.203 -9.145 1.00 0.00 O ATOM 171 CB LYS A 20 -7.604 -8.225 -6.771 1.00 0.00 C ATOM 172 CG LYS A 20 -7.467 -9.144 -7.994 1.00 0.00 C ATOM 173 CD LYS A 20 -7.908 -10.587 -7.716 1.00 0.00 C ATOM 174 CE LYS A 20 -9.260 -10.749 -6.999 1.00 0.00 C ATOM 175 NZ LYS A 20 -9.628 -12.176 -6.948 1.00 0.00 N ATOM 0 H LYS A 20 -7.607 -6.425 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.177 -6.749 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.033 -8.658 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.649 -8.216 -6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.062 -8.740 -8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.429 -9.145 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.955 -11.121 -8.665 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.139 -11.072 -7.115 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.198 -10.343 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.030 -10.183 -7.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.592 -12.273 -6.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.589 -12.579 -7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.963 -12.684 -6.331 1.00 0.00 H new ATOM 176 N PHE A 21 -9.018 -5.118 -7.498 1.00 0.00 N ATOM 177 CA PHE A 21 -9.486 -3.969 -8.327 1.00 0.00 C ATOM 178 C PHE A 21 -8.337 -3.028 -8.627 1.00 0.00 C ATOM 179 O PHE A 21 -7.944 -3.080 -9.769 1.00 0.00 O ATOM 180 CB PHE A 21 -10.682 -3.162 -7.763 1.00 0.00 C ATOM 181 CG PHE A 21 -12.021 -3.872 -7.791 1.00 0.00 C ATOM 182 CD1 PHE A 21 -12.416 -4.689 -8.853 1.00 0.00 C ATOM 183 CD2 PHE A 21 -12.842 -3.738 -6.679 1.00 0.00 C ATOM 184 CE1 PHE A 21 -13.567 -5.448 -8.748 1.00 0.00 C ATOM 185 CE2 PHE A 21 -14.003 -4.482 -6.577 1.00 0.00 C ATOM 186 CZ PHE A 21 -14.375 -5.348 -7.610 1.00 0.00 C ATOM 0 H PHE A 21 -9.453 -5.170 -6.577 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.864 -4.437 -9.236 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.458 -2.887 -6.732 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -10.771 -2.234 -8.329 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -11.823 -4.728 -9.755 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.573 -3.050 -5.891 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.843 -6.120 -9.547 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -14.624 -4.394 -5.698 1.00 0.00 H new ATOM 0 HZ PHE A 21 -15.278 -5.935 -7.530 1.00 0.00 H new ATOM 187 N ARG A 22 -7.704 -2.267 -7.737 1.00 0.00 N ATOM 188 CA ARG A 22 -6.407 -1.595 -8.051 1.00 0.00 C ATOM 189 C ARG A 22 -5.464 -2.308 -9.131 1.00 0.00 C ATOM 190 O ARG A 22 -5.195 -1.721 -10.181 1.00 0.00 O ATOM 191 CB ARG A 22 -5.850 -1.173 -6.677 1.00 0.00 C ATOM 192 CG ARG A 22 -4.804 -0.057 -6.838 1.00 0.00 C ATOM 193 CD ARG A 22 -4.570 0.723 -5.550 1.00 0.00 C ATOM 194 NE ARG A 22 -3.503 1.726 -5.778 1.00 0.00 N ATOM 195 CZ ARG A 22 -3.661 2.922 -6.340 1.00 0.00 C ATOM 196 NH1 ARG A 22 -4.792 3.397 -6.764 1.00 0.00 N ATOM 197 NH2 ARG A 22 -2.616 3.646 -6.489 1.00 0.00 N ATOM 0 H ARG A 22 -8.050 -2.090 -6.794 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.525 -0.702 -8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.663 -0.827 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.399 -2.033 -6.181 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.862 -0.493 -7.169 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.129 0.630 -7.619 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.490 1.217 -5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.283 0.045 -4.746 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.561 1.477 -5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.643 2.842 -6.677 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.830 4.326 -7.184 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.707 3.299 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.692 4.570 -6.915 1.00 0.00 H new ATOM 198 N ALA A 23 -5.272 -3.647 -9.041 1.00 0.00 N ATOM 199 CA ALA A 23 -4.927 -4.519 -10.207 1.00 0.00 C ATOM 200 C ALA A 23 -5.868 -4.473 -11.475 1.00 0.00 C ATOM 201 O ALA A 23 -5.542 -3.799 -12.452 1.00 0.00 O ATOM 202 CB ALA A 23 -4.589 -5.912 -9.609 1.00 0.00 C ATOM 0 H ALA A 23 -5.350 -4.159 -8.162 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.058 -4.112 -10.723 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.327 -6.599 -10.413 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.747 -5.819 -8.923 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.455 -6.297 -9.071 1.00 0.00 H new ATOM 203 N GLU A 24 -7.012 -5.163 -11.477 1.00 0.00 N ATOM 204 CA GLU A 24 -7.968 -5.228 -12.630 1.00 0.00 C ATOM 205 C GLU A 24 -8.736 -3.916 -13.054 1.00 0.00 C ATOM 206 O GLU A 24 -8.943 -3.675 -14.243 1.00 0.00 O ATOM 207 CB GLU A 24 -8.950 -6.412 -12.383 1.00 0.00 C ATOM 208 CG GLU A 24 -8.358 -7.835 -12.141 1.00 0.00 C ATOM 209 CD GLU A 24 -7.315 -8.357 -13.131 1.00 0.00 C ATOM 210 OE1 GLU A 24 -7.748 -8.309 -14.420 1.00 0.00 O ATOM 211 OE2 GLU A 24 -6.215 -8.788 -12.799 1.00 0.00 O ATOM 0 H GLU A 24 -7.322 -5.708 -10.672 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.333 -5.380 -13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.564 -6.158 -11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.618 -6.473 -13.242 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.910 -7.846 -11.147 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.187 -8.543 -12.125 1.00 0.00 H new ATOM 229 N ARG A 28 -3.183 -4.218 -14.110 1.00 0.00 N ATOM 230 CA ARG A 28 -2.028 -4.865 -13.426 1.00 0.00 C ATOM 231 C ARG A 28 -2.636 -6.171 -12.786 1.00 0.00 C ATOM 232 O ARG A 28 -3.851 -6.290 -12.593 1.00 0.00 O ATOM 233 CB ARG A 28 -1.398 -3.785 -12.491 1.00 0.00 C ATOM 234 CG ARG A 28 -0.929 -2.447 -13.141 1.00 0.00 C ATOM 235 CD ARG A 28 -0.117 -1.478 -12.258 1.00 0.00 C ATOM 236 NE ARG A 28 -0.857 -0.951 -11.080 1.00 0.00 N ATOM 237 CZ ARG A 28 -0.337 -0.142 -10.155 1.00 0.00 C ATOM 238 NH1 ARG A 28 0.875 0.306 -10.182 1.00 0.00 N ATOM 239 NH2 ARG A 28 -1.070 0.214 -9.161 1.00 0.00 N ATOM 0 HA ARG A 28 -1.186 -5.196 -14.033 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.127 -3.544 -11.718 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.540 -4.234 -11.991 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.327 -2.690 -14.017 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.812 -1.918 -13.498 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.780 -1.989 -11.909 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.213 -0.638 -12.870 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.833 -1.228 -10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.499 0.043 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.208 0.922 -9.440 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.031 -0.121 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -0.691 0.832 -8.443 1.00 0.00 H new ATOM 240 N SER A 29 -1.861 -7.231 -12.519 1.00 0.00 N ATOM 241 CA SER A 29 -2.461 -8.544 -12.079 1.00 0.00 C ATOM 242 C SER A 29 -1.778 -8.951 -10.762 1.00 0.00 C ATOM 243 O SER A 29 -0.574 -9.141 -10.799 1.00 0.00 O ATOM 244 CB SER A 29 -2.364 -9.588 -13.219 1.00 0.00 C ATOM 245 OG SER A 29 -1.024 -9.833 -13.650 1.00 0.00 O ATOM 0 H SER A 29 -0.844 -7.230 -12.590 1.00 0.00 H new ATOM 0 HA SER A 29 -3.529 -8.463 -11.876 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.807 -10.525 -12.882 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.954 -9.244 -14.068 1.00 0.00 H new ATOM 0 HG SER A 29 -1.028 -10.500 -14.368 1.00 0.00 H new ATOM 246 N MET A 30 -2.425 -8.934 -9.579 1.00 0.00 N ATOM 247 CA MET A 30 -1.759 -8.412 -8.345 1.00 0.00 C ATOM 248 C MET A 30 -0.298 -8.836 -8.001 1.00 0.00 C ATOM 249 O MET A 30 0.446 -7.988 -7.545 1.00 0.00 O ATOM 250 CB MET A 30 -2.574 -8.615 -7.061 1.00 0.00 C ATOM 251 CG MET A 30 -3.409 -7.461 -6.554 1.00 0.00 C ATOM 252 SD MET A 30 -3.117 -7.281 -4.804 1.00 0.00 S ATOM 253 CE MET A 30 -4.507 -8.203 -4.236 1.00 0.00 C ATOM 0 H MET A 30 -3.381 -9.263 -9.442 1.00 0.00 H new ATOM 0 HA MET A 30 -1.704 -7.372 -8.666 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.240 -9.463 -7.220 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.881 -8.898 -6.268 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.145 -6.543 -7.079 1.00 0.00 H new ATOM 0 HG3 MET A 30 -4.466 -7.645 -6.745 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.345 -8.505 -3.201 1.00 0.00 H new ATOM 0 HE2 MET A 30 -5.403 -7.586 -4.298 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.634 -9.090 -4.857 1.00 0.00 H new ATOM 254 N ASN A 31 0.206 -10.055 -8.186 1.00 0.00 N ATOM 255 CA ASN A 31 1.691 -10.252 -8.165 1.00 0.00 C ATOM 256 C ASN A 31 2.509 -9.199 -9.044 1.00 0.00 C ATOM 257 O ASN A 31 3.338 -8.486 -8.483 1.00 0.00 O ATOM 258 CB ASN A 31 2.012 -11.749 -8.407 1.00 0.00 C ATOM 259 CG ASN A 31 3.467 -12.173 -8.211 1.00 0.00 C ATOM 260 OD1 ASN A 31 4.078 -12.805 -9.060 1.00 0.00 O ATOM 261 ND2 ASN A 31 4.067 -11.858 -7.096 1.00 0.00 N ATOM 0 H ASN A 31 -0.345 -10.898 -8.347 1.00 0.00 H new ATOM 0 HA ASN A 31 2.066 -10.011 -7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.390 -12.344 -7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.717 -12.001 -9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 31 5.035 -12.139 -6.941 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.568 -11.331 -6.380 1.00 0.00 H new ATOM 262 N SER A 32 2.084 -8.931 -10.298 1.00 0.00 N ATOM 263 CA SER A 32 2.168 -7.570 -10.923 1.00 0.00 C ATOM 264 C SER A 32 1.639 -6.358 -10.091 1.00 0.00 C ATOM 265 O SER A 32 2.481 -5.624 -9.581 1.00 0.00 O ATOM 266 CB SER A 32 1.703 -7.625 -12.404 1.00 0.00 C ATOM 267 OG SER A 32 1.525 -6.328 -12.983 1.00 0.00 O ATOM 0 H SER A 32 1.675 -9.637 -10.910 1.00 0.00 H new ATOM 0 HA SER A 32 3.228 -7.315 -10.916 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.436 -8.180 -12.989 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.764 -8.176 -12.464 1.00 0.00 H new ATOM 0 HG SER A 32 2.382 -5.852 -12.990 1.00 0.00 H new ATOM 268 N GLU A 33 0.333 -6.083 -9.926 1.00 0.00 N ATOM 269 CA GLU A 33 -0.094 -4.801 -9.261 1.00 0.00 C ATOM 270 C GLU A 33 0.349 -4.536 -7.807 1.00 0.00 C ATOM 271 O GLU A 33 0.842 -3.447 -7.518 1.00 0.00 O ATOM 272 CB GLU A 33 -1.607 -4.637 -9.187 1.00 0.00 C ATOM 273 CG GLU A 33 -2.036 -3.178 -8.837 1.00 0.00 C ATOM 274 CD GLU A 33 -2.308 -2.846 -7.367 1.00 0.00 C ATOM 275 OE1 GLU A 33 -2.881 -3.868 -6.701 1.00 0.00 O ATOM 276 OE2 GLU A 33 -2.001 -1.794 -6.830 1.00 0.00 O ATOM 0 H GLU A 33 -0.430 -6.691 -10.224 1.00 0.00 H new ATOM 0 HA GLU A 33 0.418 -4.107 -9.927 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.047 -4.922 -10.143 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.006 -5.319 -8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.256 -2.505 -9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.938 -2.949 -9.404 1.00 0.00 H new ATOM 277 N LEU A 34 0.073 -5.484 -6.884 1.00 0.00 N ATOM 278 CA LEU A 34 0.650 -5.508 -5.531 1.00 0.00 C ATOM 279 C LEU A 34 2.169 -5.160 -5.696 1.00 0.00 C ATOM 280 O LEU A 34 2.532 -4.121 -5.176 1.00 0.00 O ATOM 281 CB LEU A 34 0.325 -6.871 -4.851 1.00 0.00 C ATOM 282 CG LEU A 34 0.031 -7.000 -3.332 1.00 0.00 C ATOM 283 CD1 LEU A 34 0.148 -8.438 -2.803 1.00 0.00 C ATOM 284 CD2 LEU A 34 0.716 -6.105 -2.300 1.00 0.00 C ATOM 0 H LEU A 34 -0.564 -6.260 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 34 0.224 -4.771 -4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.541 -7.280 -5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.165 -7.532 -5.063 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.988 -6.619 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.071 -8.452 -1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.562 -9.077 -3.327 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.160 -8.806 -2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.364 -6.366 -1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.795 -6.248 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.478 -5.062 -2.508 1.00 0.00 H new ATOM 285 N LEU A 35 3.026 -5.829 -6.538 1.00 0.00 N ATOM 286 CA LEU A 35 4.446 -5.389 -6.668 1.00 0.00 C ATOM 287 C LEU A 35 4.659 -3.971 -7.236 1.00 0.00 C ATOM 288 O LEU A 35 5.475 -3.222 -6.711 1.00 0.00 O ATOM 289 CB LEU A 35 5.345 -6.365 -7.471 1.00 0.00 C ATOM 290 CG LEU A 35 5.883 -7.589 -6.712 1.00 0.00 C ATOM 291 CD1 LEU A 35 6.763 -8.418 -7.636 1.00 0.00 C ATOM 292 CD2 LEU A 35 6.683 -7.143 -5.466 1.00 0.00 C ATOM 0 H LEU A 35 2.769 -6.635 -7.108 1.00 0.00 H new ATOM 0 HA LEU A 35 4.752 -5.383 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.778 -6.720 -8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.195 -5.804 -7.859 1.00 0.00 H new ATOM 0 HG LEU A 35 5.042 -8.198 -6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.143 -9.285 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.178 -8.752 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.600 -7.811 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 35 7.057 -8.021 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.523 -6.521 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.034 -6.572 -4.802 1.00 0.00 H new ATOM 293 N GLN A 36 3.942 -3.611 -8.297 1.00 0.00 N ATOM 294 CA GLN A 36 4.026 -2.263 -8.902 1.00 0.00 C ATOM 295 C GLN A 36 3.610 -1.126 -7.948 1.00 0.00 C ATOM 296 O GLN A 36 4.383 -0.179 -7.884 1.00 0.00 O ATOM 297 CB GLN A 36 3.271 -2.188 -10.257 1.00 0.00 C ATOM 298 CG GLN A 36 4.033 -2.666 -11.515 1.00 0.00 C ATOM 299 CD GLN A 36 4.267 -4.166 -11.662 1.00 0.00 C ATOM 300 OE1 GLN A 36 3.685 -4.857 -12.492 1.00 0.00 O ATOM 301 NE2 GLN A 36 5.113 -4.721 -10.840 1.00 0.00 N ATOM 0 H GLN A 36 3.286 -4.234 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 36 5.085 -2.100 -9.104 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.359 -2.778 -10.169 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.967 -1.154 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.485 -2.322 -12.392 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.003 -2.170 -11.531 1.00 0.00 H new ATOM 0 HE21 GLN A 36 5.600 -4.152 -10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.288 -5.725 -10.889 1.00 0.00 H new ATOM 302 N ILE A 37 2.511 -1.227 -7.178 1.00 0.00 N ATOM 303 CA ILE A 37 2.257 -0.300 -6.044 1.00 0.00 C ATOM 304 C ILE A 37 3.212 -0.477 -4.818 1.00 0.00 C ATOM 305 O ILE A 37 3.406 0.498 -4.134 1.00 0.00 O ATOM 306 CB ILE A 37 0.743 -0.394 -5.626 1.00 0.00 C ATOM 307 CG1 ILE A 37 0.041 0.959 -5.325 1.00 0.00 C ATOM 308 CG2 ILE A 37 0.496 -1.437 -4.503 1.00 0.00 C ATOM 309 CD1 ILE A 37 0.578 1.831 -4.175 1.00 0.00 C ATOM 0 H ILE A 37 1.787 -1.932 -7.313 1.00 0.00 H new ATOM 0 HA ILE A 37 2.485 0.703 -6.405 1.00 0.00 H new ATOM 0 HB ILE A 37 0.255 -0.754 -6.532 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.072 1.557 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.008 0.748 -5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.565 -1.460 -4.254 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.809 -2.423 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.070 -1.162 -3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.021 2.739 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.519 1.275 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.616 2.097 -4.374 1.00 0.00 H new ATOM 310 N VAL A 38 3.669 -1.677 -4.445 1.00 0.00 N ATOM 311 CA VAL A 38 4.464 -1.981 -3.215 1.00 0.00 C ATOM 312 C VAL A 38 5.962 -1.536 -3.369 1.00 0.00 C ATOM 313 O VAL A 38 6.528 -0.933 -2.461 1.00 0.00 O ATOM 314 CB VAL A 38 4.423 -3.518 -2.999 1.00 0.00 C ATOM 315 CG1 VAL A 38 5.458 -4.269 -2.153 1.00 0.00 C ATOM 316 CG2 VAL A 38 3.074 -3.980 -2.452 1.00 0.00 C ATOM 0 H VAL A 38 3.496 -2.511 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 38 4.037 -1.438 -2.372 1.00 0.00 H new ATOM 0 HB VAL A 38 4.666 -3.782 -4.028 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.222 -5.333 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 38 6.451 -4.119 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.438 -3.889 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.088 -5.061 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.885 -3.496 -1.494 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.285 -3.713 -3.156 1.00 0.00 H new ATOM 317 N GLN A 39 6.618 -1.861 -4.511 1.00 0.00 N ATOM 318 CA GLN A 39 7.841 -1.184 -4.968 1.00 0.00 C ATOM 319 C GLN A 39 7.620 0.337 -5.273 1.00 0.00 C ATOM 320 O GLN A 39 8.462 1.144 -4.878 1.00 0.00 O ATOM 321 CB GLN A 39 8.204 -2.012 -6.232 1.00 0.00 C ATOM 322 CG GLN A 39 9.510 -1.661 -6.950 1.00 0.00 C ATOM 323 CD GLN A 39 10.780 -2.187 -6.294 1.00 0.00 C ATOM 324 OE1 GLN A 39 11.293 -3.252 -6.612 1.00 0.00 O ATOM 325 NE2 GLN A 39 11.324 -1.467 -5.358 1.00 0.00 N ATOM 0 H GLN A 39 6.306 -2.603 -5.137 1.00 0.00 H new ATOM 0 HA GLN A 39 8.634 -1.160 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.248 -3.063 -5.946 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.388 -1.911 -6.947 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.460 -2.048 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.583 -0.576 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.902 -0.579 -5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.173 -1.791 -4.894 1.00 0.00 H new ATOM 326 N ASP A 40 6.456 0.761 -5.832 1.00 0.00 N ATOM 327 CA ASP A 40 5.905 2.126 -5.532 1.00 0.00 C ATOM 328 C ASP A 40 5.997 2.602 -4.051 1.00 0.00 C ATOM 329 O ASP A 40 6.568 3.650 -3.744 1.00 0.00 O ATOM 330 CB ASP A 40 4.573 2.525 -6.227 1.00 0.00 C ATOM 331 CG ASP A 40 4.513 3.800 -7.062 1.00 0.00 C ATOM 332 OD1 ASP A 40 5.379 4.665 -7.098 1.00 0.00 O ATOM 333 OD2 ASP A 40 3.352 3.880 -7.763 1.00 0.00 O ATOM 0 H ASP A 40 5.891 0.205 -6.473 1.00 0.00 H new ATOM 0 HA ASP A 40 6.650 2.725 -6.057 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.282 1.697 -6.874 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.812 2.607 -5.451 1.00 0.00 H new ATOM 334 N ALA A 41 5.481 1.771 -3.150 1.00 0.00 N ATOM 335 CA ALA A 41 5.173 2.157 -1.763 1.00 0.00 C ATOM 336 C ALA A 41 6.350 2.255 -0.754 1.00 0.00 C ATOM 337 O ALA A 41 6.380 3.118 0.126 1.00 0.00 O ATOM 338 CB ALA A 41 3.987 1.266 -1.344 1.00 0.00 C ATOM 0 H ALA A 41 5.260 0.797 -3.358 1.00 0.00 H new ATOM 0 HA ALA A 41 4.905 3.213 -1.735 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.702 1.499 -0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.141 1.451 -2.006 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.278 0.218 -1.411 1.00 0.00 H new ATOM 566 N PRO B 5 -8.566 -14.991 0.604 1.00 0.00 N ATOM 567 CA PRO B 5 -7.848 -15.961 -0.265 1.00 0.00 C ATOM 568 C PRO B 5 -6.309 -15.772 -0.349 1.00 0.00 C ATOM 569 O PRO B 5 -5.780 -14.655 -0.373 1.00 0.00 O ATOM 570 CB PRO B 5 -8.553 -15.773 -1.632 1.00 0.00 C ATOM 571 CG PRO B 5 -9.751 -14.864 -1.347 1.00 0.00 C ATOM 572 CD PRO B 5 -9.262 -13.985 -0.221 1.00 0.00 C ATOM 0 HA PRO B 5 -7.908 -16.974 0.133 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -7.881 -15.321 -2.362 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -8.874 -16.730 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -10.028 -14.278 -2.223 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -10.631 -15.438 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -8.595 -13.196 -0.568 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -10.078 -13.500 0.314 1.00 0.00 H new ATOM 573 N HIS B 6 -5.627 -16.915 -0.472 1.00 0.00 N ATOM 574 CA HIS B 6 -4.162 -16.985 -0.671 1.00 0.00 C ATOM 575 C HIS B 6 -3.751 -16.711 -2.157 1.00 0.00 C ATOM 576 O HIS B 6 -4.178 -17.433 -3.066 1.00 0.00 O ATOM 577 CB HIS B 6 -3.696 -18.423 -0.286 1.00 0.00 C ATOM 578 CG HIS B 6 -3.823 -18.849 1.174 1.00 0.00 C ATOM 579 ND1 HIS B 6 -4.998 -19.338 1.725 1.00 0.00 N ATOM 580 CD2 HIS B 6 -2.814 -18.769 2.143 1.00 0.00 C ATOM 581 CE1 HIS B 6 -4.589 -19.480 3.026 1.00 0.00 C ATOM 582 NE2 HIS B 6 -3.283 -19.229 3.362 1.00 0.00 N ATOM 0 H HIS B 6 -6.074 -17.831 -0.437 1.00 0.00 H new ATOM 0 HA HIS B 6 -3.694 -16.221 -0.051 1.00 0.00 H new ATOM 0 HB2 HIS B 6 -4.262 -19.131 -0.891 1.00 0.00 H new ATOM 0 HB3 HIS B 6 -2.649 -18.523 -0.574 1.00 0.00 H new ATOM 0 HD2 HIS B 6 -1.814 -18.401 1.965 1.00 0.00 H new ATOM 0 HE1 HIS B 6 -5.293 -19.789 3.784 1.00 0.00 H new ATOM 0 HE2 HIS B 6 -2.798 -19.347 4.252 1.00 0.00 H new ATOM 583 N PHE B 7 -2.843 -15.756 -2.411 1.00 0.00 N ATOM 584 CA PHE B 7 -1.993 -15.784 -3.630 1.00 0.00 C ATOM 585 C PHE B 7 -0.479 -15.612 -3.265 1.00 0.00 C ATOM 586 O PHE B 7 -0.104 -14.982 -2.270 1.00 0.00 O ATOM 587 CB PHE B 7 -2.566 -14.808 -4.704 1.00 0.00 C ATOM 588 CG PHE B 7 -2.043 -13.363 -4.726 1.00 0.00 C ATOM 589 CD1 PHE B 7 -0.816 -13.101 -5.346 1.00 0.00 C ATOM 590 CD2 PHE B 7 -2.743 -12.305 -4.131 1.00 0.00 C ATOM 591 CE1 PHE B 7 -0.293 -11.825 -5.334 1.00 0.00 C ATOM 592 CE2 PHE B 7 -2.247 -11.007 -4.208 1.00 0.00 C ATOM 593 CZ PHE B 7 -1.033 -10.775 -4.847 1.00 0.00 C ATOM 0 H PHE B 7 -2.673 -14.958 -1.799 1.00 0.00 H new ATOM 0 HA PHE B 7 -2.028 -16.765 -4.104 1.00 0.00 H new ATOM 0 HB2 PHE B 7 -2.378 -15.245 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE B 7 -3.648 -14.769 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE B 7 -0.278 -13.900 -5.835 1.00 0.00 H new ATOM 0 HD2 PHE B 7 -3.670 -12.497 -3.611 1.00 0.00 H new ATOM 0 HE1 PHE B 7 0.704 -11.650 -5.710 1.00 0.00 H new ATOM 0 HE2 PHE B 7 -2.800 -10.186 -3.775 1.00 0.00 H new ATOM 0 HZ PHE B 7 -0.670 -9.764 -4.961 1.00 0.00 H new ATOM 594 N ASN B 8 0.404 -16.106 -4.141 1.00 0.00 N ATOM 595 CA ASN B 8 1.867 -15.861 -4.044 1.00 0.00 C ATOM 596 C ASN B 8 2.311 -14.351 -4.087 1.00 0.00 C ATOM 597 O ASN B 8 2.423 -13.734 -5.150 1.00 0.00 O ATOM 598 CB ASN B 8 2.576 -16.756 -5.104 1.00 0.00 C ATOM 599 CG ASN B 8 2.219 -16.555 -6.585 1.00 0.00 C ATOM 600 OD1 ASN B 8 1.207 -17.044 -7.071 1.00 0.00 O ATOM 601 ND2 ASN B 8 3.010 -15.845 -7.345 1.00 0.00 N ATOM 0 H ASN B 8 0.137 -16.685 -4.937 1.00 0.00 H new ATOM 0 HA ASN B 8 2.187 -16.146 -3.042 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.651 -16.608 -4.998 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.371 -17.796 -4.851 1.00 0.00 H new ATOM 0 HD21 ASN B 8 2.781 -15.704 -8.329 1.00 0.00 H new ATOM 0 HD22 ASN B 8 3.857 -15.431 -6.954 1.00 0.00 H new ATOM 602 N PHE B 9 2.657 -13.789 -2.924 1.00 0.00 N ATOM 603 CA PHE B 9 3.501 -12.599 -2.796 1.00 0.00 C ATOM 604 C PHE B 9 4.667 -12.925 -1.843 1.00 0.00 C ATOM 605 O PHE B 9 4.532 -12.826 -0.627 1.00 0.00 O ATOM 606 CB PHE B 9 2.551 -11.457 -2.342 1.00 0.00 C ATOM 607 CG PHE B 9 3.003 -10.134 -2.914 1.00 0.00 C ATOM 608 CD1 PHE B 9 2.935 -9.939 -4.299 1.00 0.00 C ATOM 609 CD2 PHE B 9 3.328 -9.052 -2.092 1.00 0.00 C ATOM 610 CE1 PHE B 9 3.224 -8.709 -4.839 1.00 0.00 C ATOM 611 CE2 PHE B 9 3.696 -7.842 -2.641 1.00 0.00 C ATOM 612 CZ PHE B 9 3.552 -7.660 -3.996 1.00 0.00 C ATOM 0 H PHE B 9 2.350 -14.159 -2.024 1.00 0.00 H new ATOM 0 HA PHE B 9 3.984 -12.275 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE B 9 1.533 -11.672 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE B 9 2.533 -11.402 -1.254 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.655 -10.758 -4.945 1.00 0.00 H new ATOM 0 HD2 PHE B 9 3.291 -9.164 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE B 9 3.196 -8.562 -5.909 1.00 0.00 H new ATOM 0 HE2 PHE B 9 4.090 -7.052 -2.018 1.00 0.00 H new ATOM 0 HZ PHE B 9 3.698 -6.675 -4.414 1.00 0.00 H new ATOM 613 N ARG B 10 5.920 -13.147 -2.226 1.00 0.00 N ATOM 614 CA ARG B 10 6.454 -13.521 -3.571 1.00 0.00 C ATOM 615 C ARG B 10 6.980 -12.276 -4.335 1.00 0.00 C ATOM 616 O ARG B 10 6.259 -11.633 -5.101 1.00 0.00 O ATOM 617 CB ARG B 10 5.712 -14.558 -4.430 1.00 0.00 C ATOM 618 CG ARG B 10 6.471 -15.078 -5.668 1.00 0.00 C ATOM 619 CD ARG B 10 7.922 -15.572 -5.493 1.00 0.00 C ATOM 620 NE ARG B 10 8.443 -16.050 -6.801 1.00 0.00 N ATOM 621 CZ ARG B 10 9.090 -15.309 -7.696 1.00 0.00 C ATOM 622 NH1 ARG B 10 9.335 -14.039 -7.562 1.00 0.00 N ATOM 623 NH2 ARG B 10 9.488 -15.893 -8.769 1.00 0.00 N ATOM 0 H ARG B 10 6.679 -13.067 -1.549 1.00 0.00 H new ATOM 0 HA ARG B 10 7.300 -14.159 -3.316 1.00 0.00 H new ATOM 0 HB2 ARG B 10 5.460 -15.410 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG B 10 4.772 -14.119 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG B 10 5.891 -15.898 -6.091 1.00 0.00 H new ATOM 0 HG3 ARG B 10 6.481 -14.279 -6.410 1.00 0.00 H new ATOM 0 HD2 ARG B 10 8.549 -14.766 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG B 10 7.958 -16.377 -4.759 1.00 0.00 H new ATOM 0 HE ARG B 10 8.291 -17.032 -7.032 1.00 0.00 H new ATOM 0 HH11 ARG B 10 9.024 -13.545 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG B 10 9.838 -13.537 -8.293 1.00 0.00 H new ATOM 0 HH21 ARG B 10 9.304 -16.887 -8.907 1.00 0.00 H new ATOM 0 HH22 ARG B 10 9.988 -15.363 -9.483 1.00 0.00 H new ATOM 624 N MET B 11 8.228 -11.900 -4.037 1.00 0.00 N ATOM 625 CA MET B 11 8.692 -10.503 -4.241 1.00 0.00 C ATOM 626 C MET B 11 10.234 -10.473 -4.519 1.00 0.00 C ATOM 627 O MET B 11 10.967 -11.034 -3.700 1.00 0.00 O ATOM 628 CB MET B 11 8.378 -9.707 -2.940 1.00 0.00 C ATOM 629 CG MET B 11 6.912 -9.411 -2.584 1.00 0.00 C ATOM 630 SD MET B 11 6.874 -8.590 -0.986 1.00 0.00 S ATOM 631 CE MET B 11 5.696 -9.617 -0.095 1.00 0.00 C ATOM 0 H MET B 11 8.936 -12.528 -3.657 1.00 0.00 H new ATOM 0 HA MET B 11 8.185 -10.061 -5.099 1.00 0.00 H new ATOM 0 HB2 MET B 11 8.815 -10.255 -2.105 1.00 0.00 H new ATOM 0 HB3 MET B 11 8.901 -8.753 -3.004 1.00 0.00 H new ATOM 0 HG2 MET B 11 6.456 -8.779 -3.346 1.00 0.00 H new ATOM 0 HG3 MET B 11 6.335 -10.335 -2.550 1.00 0.00 H new ATOM 0 HE1 MET B 11 4.901 -8.991 0.310 1.00 0.00 H new ATOM 0 HE2 MET B 11 5.268 -10.353 -0.775 1.00 0.00 H new ATOM 0 HE3 MET B 11 6.205 -10.130 0.721 1.00 0.00 H new ATOM 632 N PRO B 12 10.809 -9.803 -5.565 1.00 0.00 N ATOM 633 CA PRO B 12 12.281 -9.567 -5.675 1.00 0.00 C ATOM 634 C PRO B 12 13.045 -9.106 -4.397 1.00 0.00 C ATOM 635 O PRO B 12 12.460 -8.433 -3.535 1.00 0.00 O ATOM 636 CB PRO B 12 12.360 -8.559 -6.837 1.00 0.00 C ATOM 637 CG PRO B 12 11.143 -8.881 -7.704 1.00 0.00 C ATOM 638 CD PRO B 12 10.052 -9.246 -6.698 1.00 0.00 C ATOM 0 HA PRO B 12 12.807 -10.507 -5.840 1.00 0.00 H new ATOM 0 HB2 PRO B 12 12.329 -7.532 -6.474 1.00 0.00 H new ATOM 0 HB3 PRO B 12 13.288 -8.671 -7.398 1.00 0.00 H new ATOM 0 HG2 PRO B 12 10.852 -8.026 -8.315 1.00 0.00 H new ATOM 0 HG3 PRO B 12 11.347 -9.706 -8.387 1.00 0.00 H new ATOM 0 HD2 PRO B 12 9.469 -8.374 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO B 12 9.352 -9.973 -7.110 1.00 0.00 H new ATOM 639 N MET B 13 14.328 -9.507 -4.255 1.00 0.00 N ATOM 640 CA MET B 13 15.054 -9.383 -2.956 1.00 0.00 C ATOM 641 C MET B 13 14.963 -8.010 -2.190 1.00 0.00 C ATOM 642 O MET B 13 14.845 -7.992 -0.965 1.00 0.00 O ATOM 643 CB MET B 13 16.557 -9.780 -3.096 1.00 0.00 C ATOM 644 CG MET B 13 17.312 -10.116 -1.782 1.00 0.00 C ATOM 645 SD MET B 13 17.075 -11.806 -1.188 1.00 0.00 S ATOM 646 CE MET B 13 15.463 -11.755 -0.385 1.00 0.00 C ATOM 0 H MET B 13 14.882 -9.915 -5.008 1.00 0.00 H new ATOM 0 HA MET B 13 14.502 -10.087 -2.333 1.00 0.00 H new ATOM 0 HB2 MET B 13 16.621 -10.645 -3.756 1.00 0.00 H new ATOM 0 HB3 MET B 13 17.081 -8.962 -3.590 1.00 0.00 H new ATOM 0 HG2 MET B 13 18.377 -9.946 -1.937 1.00 0.00 H new ATOM 0 HG3 MET B 13 16.988 -9.423 -1.005 1.00 0.00 H new ATOM 0 HE1 MET B 13 15.393 -12.564 0.342 1.00 0.00 H new ATOM 0 HE2 MET B 13 15.340 -10.799 0.124 1.00 0.00 H new ATOM 0 HE3 MET B 13 14.680 -11.871 -1.134 1.00 0.00 H new ATOM 647 N GLU B 14 15.014 -6.872 -2.903 1.00 0.00 N ATOM 648 CA GLU B 14 14.748 -5.531 -2.317 1.00 0.00 C ATOM 649 C GLU B 14 13.308 -5.277 -1.770 1.00 0.00 C ATOM 650 O GLU B 14 13.192 -4.871 -0.619 1.00 0.00 O ATOM 651 CB GLU B 14 15.275 -4.437 -3.288 1.00 0.00 C ATOM 652 CG GLU B 14 14.478 -4.230 -4.608 1.00 0.00 C ATOM 653 CD GLU B 14 15.013 -3.139 -5.527 1.00 0.00 C ATOM 654 OE1 GLU B 14 16.125 -3.530 -6.203 1.00 0.00 O ATOM 655 OE2 GLU B 14 14.492 -2.036 -5.654 1.00 0.00 O ATOM 0 H GLU B 14 15.239 -6.847 -3.898 1.00 0.00 H new ATOM 0 HA GLU B 14 15.312 -5.482 -1.386 1.00 0.00 H new ATOM 0 HB2 GLU B 14 15.297 -3.488 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU B 14 16.305 -4.680 -3.547 1.00 0.00 H new ATOM 0 HG2 GLU B 14 14.466 -5.171 -5.157 1.00 0.00 H new ATOM 0 HG3 GLU B 14 13.444 -3.995 -4.356 1.00 0.00 H new ATOM 656 N VAL B 15 12.223 -5.536 -2.521 1.00 0.00 N ATOM 657 CA VAL B 15 10.818 -5.390 -2.043 1.00 0.00 C ATOM 658 C VAL B 15 10.488 -6.264 -0.823 1.00 0.00 C ATOM 659 O VAL B 15 9.970 -5.736 0.154 1.00 0.00 O ATOM 660 CB VAL B 15 9.772 -5.673 -3.183 1.00 0.00 C ATOM 661 CG1 VAL B 15 8.813 -4.486 -3.323 1.00 0.00 C ATOM 662 CG2 VAL B 15 10.266 -5.985 -4.619 1.00 0.00 C ATOM 0 H VAL B 15 12.287 -5.856 -3.487 1.00 0.00 H new ATOM 0 HA VAL B 15 10.741 -4.348 -1.734 1.00 0.00 H new ATOM 0 HB VAL B 15 9.331 -6.602 -2.822 1.00 0.00 H new ATOM 0 HG11 VAL B 15 8.093 -4.692 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL B 15 8.284 -4.333 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL B 15 9.379 -3.588 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL B 15 9.408 -6.153 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL B 15 10.847 -5.143 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL B 15 10.890 -6.879 -4.603 1.00 0.00 H new ATOM 663 N ARG B 16 10.770 -7.573 -0.848 1.00 0.00 N ATOM 664 CA ARG B 16 10.645 -8.370 0.382 1.00 0.00 C ATOM 665 C ARG B 16 11.646 -8.042 1.515 1.00 0.00 C ATOM 666 O ARG B 16 11.208 -8.108 2.650 1.00 0.00 O ATOM 667 CB ARG B 16 10.589 -9.879 0.104 1.00 0.00 C ATOM 668 CG ARG B 16 9.465 -10.530 0.952 1.00 0.00 C ATOM 669 CD ARG B 16 9.906 -11.903 1.417 1.00 0.00 C ATOM 670 NE ARG B 16 8.897 -12.458 2.348 1.00 0.00 N ATOM 671 CZ ARG B 16 8.919 -13.696 2.835 1.00 0.00 C ATOM 672 NH1 ARG B 16 9.754 -14.615 2.461 1.00 0.00 N ATOM 673 NH2 ARG B 16 8.067 -14.001 3.744 1.00 0.00 N ATOM 0 H ARG B 16 11.075 -8.089 -1.673 1.00 0.00 H new ATOM 0 HA ARG B 16 9.680 -8.052 0.777 1.00 0.00 H new ATOM 0 HB2 ARG B 16 10.406 -10.056 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG B 16 11.549 -10.338 0.343 1.00 0.00 H new ATOM 0 HG2 ARG B 16 9.234 -9.901 1.812 1.00 0.00 H new ATOM 0 HG3 ARG B 16 8.552 -10.611 0.362 1.00 0.00 H new ATOM 0 HD2 ARG B 16 10.030 -12.566 0.561 1.00 0.00 H new ATOM 0 HD3 ARG B 16 10.875 -11.837 1.912 1.00 0.00 H new ATOM 0 HE ARG B 16 8.132 -11.849 2.636 1.00 0.00 H new ATOM 0 HH11 ARG B 16 10.454 -14.409 1.748 1.00 0.00 H new ATOM 0 HH12 ARG B 16 9.711 -15.544 2.880 1.00 0.00 H new ATOM 0 HH21 ARG B 16 7.400 -13.303 4.072 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.057 -14.942 4.139 1.00 0.00 H new ATOM 674 N GLU B 17 12.897 -7.604 1.302 1.00 0.00 N ATOM 675 CA GLU B 17 13.636 -6.913 2.398 1.00 0.00 C ATOM 676 C GLU B 17 12.941 -5.610 2.903 1.00 0.00 C ATOM 677 O GLU B 17 12.801 -5.473 4.108 1.00 0.00 O ATOM 678 CB GLU B 17 15.089 -6.605 1.989 1.00 0.00 C ATOM 679 CG GLU B 17 16.054 -7.814 1.944 1.00 0.00 C ATOM 680 CD GLU B 17 17.413 -7.455 1.357 1.00 0.00 C ATOM 681 OE1 GLU B 17 17.327 -7.177 0.025 1.00 0.00 O ATOM 682 OE2 GLU B 17 18.448 -7.413 2.012 1.00 0.00 O ATOM 0 H GLU B 17 13.409 -7.704 0.426 1.00 0.00 H new ATOM 0 HA GLU B 17 13.633 -7.616 3.231 1.00 0.00 H new ATOM 0 HB2 GLU B 17 15.077 -6.139 1.004 1.00 0.00 H new ATOM 0 HB3 GLU B 17 15.493 -5.869 2.685 1.00 0.00 H new ATOM 0 HG2 GLU B 17 16.189 -8.204 2.953 1.00 0.00 H new ATOM 0 HG3 GLU B 17 15.605 -8.611 1.351 1.00 0.00 H new ATOM 683 N LYS B 18 12.479 -4.671 2.064 1.00 0.00 N ATOM 684 CA LYS B 18 11.767 -3.455 2.547 1.00 0.00 C ATOM 685 C LYS B 18 10.311 -3.617 3.105 1.00 0.00 C ATOM 686 O LYS B 18 9.996 -3.018 4.138 1.00 0.00 O ATOM 687 CB LYS B 18 12.240 -2.197 1.780 1.00 0.00 C ATOM 688 CG LYS B 18 11.929 -2.076 0.271 1.00 0.00 C ATOM 689 CD LYS B 18 13.145 -1.666 -0.580 1.00 0.00 C ATOM 690 CE LYS B 18 12.815 -1.605 -2.074 1.00 0.00 C ATOM 691 NZ LYS B 18 13.976 -1.018 -2.775 1.00 0.00 N ATOM 0 H LYS B 18 12.580 -4.720 1.050 1.00 0.00 H new ATOM 0 HA LYS B 18 12.085 -3.221 3.563 1.00 0.00 H new ATOM 0 HB2 LYS B 18 11.807 -1.328 2.275 1.00 0.00 H new ATOM 0 HB3 LYS B 18 13.321 -2.126 1.899 1.00 0.00 H new ATOM 0 HG2 LYS B 18 11.549 -3.032 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS B 18 11.134 -1.343 0.130 1.00 0.00 H new ATOM 0 HD2 LYS B 18 13.505 -0.692 -0.250 1.00 0.00 H new ATOM 0 HD3 LYS B 18 13.955 -2.377 -0.418 1.00 0.00 H new ATOM 0 HE2 LYS B 18 12.602 -2.603 -2.458 1.00 0.00 H new ATOM 0 HE3 LYS B 18 11.923 -1.002 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 14.039 -1.415 -3.734 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 13.861 0.014 -2.834 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 14.846 -1.239 -2.251 1.00 0.00 H new ATOM 692 N LEU B 19 9.483 -4.519 2.555 1.00 0.00 N ATOM 693 CA LEU B 19 8.223 -4.998 3.179 1.00 0.00 C ATOM 694 C LEU B 19 8.452 -5.890 4.471 1.00 0.00 C ATOM 695 O LEU B 19 7.746 -5.719 5.470 1.00 0.00 O ATOM 696 CB LEU B 19 7.326 -5.478 1.983 1.00 0.00 C ATOM 697 CG LEU B 19 5.869 -4.969 1.787 1.00 0.00 C ATOM 698 CD1 LEU B 19 5.194 -5.860 0.738 1.00 0.00 C ATOM 699 CD2 LEU B 19 4.943 -4.842 3.016 1.00 0.00 C ATOM 0 H LEU B 19 9.667 -4.948 1.648 1.00 0.00 H new ATOM 0 HA LEU B 19 7.635 -4.237 3.692 1.00 0.00 H new ATOM 0 HB2 LEU B 19 7.868 -5.238 1.068 1.00 0.00 H new ATOM 0 HB3 LEU B 19 7.273 -6.565 2.047 1.00 0.00 H new ATOM 0 HG LEU B 19 5.999 -3.929 1.488 1.00 0.00 H new ATOM 0 HD11 LEU B 19 4.169 -5.524 0.581 1.00 0.00 H new ATOM 0 HD12 LEU B 19 5.744 -5.797 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU B 19 5.188 -6.893 1.087 1.00 0.00 H new ATOM 0 HD21 LEU B 19 3.967 -4.474 2.700 1.00 0.00 H new ATOM 0 HD22 LEU B 19 4.828 -5.818 3.487 1.00 0.00 H new ATOM 0 HD23 LEU B 19 5.380 -4.144 3.730 1.00 0.00 H new ATOM 700 N LYS B 20 9.459 -6.795 4.497 1.00 0.00 N ATOM 701 CA LYS B 20 9.744 -7.723 5.614 1.00 0.00 C ATOM 702 C LYS B 20 10.699 -7.162 6.713 1.00 0.00 C ATOM 703 O LYS B 20 10.533 -7.547 7.864 1.00 0.00 O ATOM 704 CB LYS B 20 10.244 -9.092 5.106 1.00 0.00 C ATOM 705 CG LYS B 20 10.215 -10.248 6.126 1.00 0.00 C ATOM 706 CD LYS B 20 10.659 -11.614 5.568 1.00 0.00 C ATOM 707 CE LYS B 20 11.945 -11.600 4.725 1.00 0.00 C ATOM 708 NZ LYS B 20 12.296 -12.976 4.330 1.00 0.00 N ATOM 0 H LYS B 20 10.112 -6.902 3.721 1.00 0.00 H new ATOM 0 HA LYS B 20 8.780 -7.852 6.106 1.00 0.00 H new ATOM 0 HB2 LYS B 20 9.640 -9.379 4.245 1.00 0.00 H new ATOM 0 HB3 LYS B 20 11.268 -8.973 4.752 1.00 0.00 H new ATOM 0 HG2 LYS B 20 10.858 -9.988 6.967 1.00 0.00 H new ATOM 0 HG3 LYS B 20 9.202 -10.343 6.517 1.00 0.00 H new ATOM 0 HD2 LYS B 20 10.801 -12.299 6.404 1.00 0.00 H new ATOM 0 HD3 LYS B 20 9.851 -12.018 4.959 1.00 0.00 H new ATOM 0 HE2 LYS B 20 11.803 -10.982 3.838 1.00 0.00 H new ATOM 0 HE3 LYS B 20 12.761 -11.156 5.296 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 13.240 -12.982 3.894 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.299 -13.588 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 11.597 -13.330 3.647 1.00 0.00 H new ATOM 709 N PHE B 21 11.667 -6.263 6.432 1.00 0.00 N ATOM 710 CA PHE B 21 12.193 -5.306 7.445 1.00 0.00 C ATOM 711 C PHE B 21 11.062 -4.433 7.991 1.00 0.00 C ATOM 712 O PHE B 21 10.728 -4.762 9.108 1.00 0.00 O ATOM 713 CB PHE B 21 13.415 -4.453 7.010 1.00 0.00 C ATOM 714 CG PHE B 21 14.738 -5.213 7.028 1.00 0.00 C ATOM 715 CD1 PHE B 21 15.236 -5.749 8.221 1.00 0.00 C ATOM 716 CD2 PHE B 21 15.441 -5.403 5.842 1.00 0.00 C ATOM 717 CE1 PHE B 21 16.391 -6.520 8.207 1.00 0.00 C ATOM 718 CE2 PHE B 21 16.596 -6.173 5.825 1.00 0.00 C ATOM 719 CZ PHE B 21 17.074 -6.736 7.009 1.00 0.00 C ATOM 0 H PHE B 21 12.103 -6.176 5.514 1.00 0.00 H new ATOM 0 HA PHE B 21 12.595 -5.935 8.239 1.00 0.00 H new ATOM 0 HB2 PHE B 21 13.240 -4.072 6.004 1.00 0.00 H new ATOM 0 HB3 PHE B 21 13.495 -3.588 7.669 1.00 0.00 H new ATOM 0 HD1 PHE B 21 14.722 -5.563 9.153 1.00 0.00 H new ATOM 0 HD2 PHE B 21 15.086 -4.948 4.929 1.00 0.00 H new ATOM 0 HE1 PHE B 21 16.761 -6.953 9.124 1.00 0.00 H new ATOM 0 HE2 PHE B 21 17.124 -6.336 4.897 1.00 0.00 H new ATOM 0 HZ PHE B 21 17.971 -7.338 6.998 1.00 0.00 H new ATOM 720 N ARG B 22 10.394 -3.474 7.326 1.00 0.00 N ATOM 721 CA ARG B 22 9.131 -2.843 7.852 1.00 0.00 C ATOM 722 C ARG B 22 8.312 -3.680 8.926 1.00 0.00 C ATOM 723 O ARG B 22 8.356 -3.326 10.107 1.00 0.00 O ATOM 724 CB ARG B 22 8.382 -2.291 6.616 1.00 0.00 C ATOM 725 CG ARG B 22 7.170 -1.395 6.971 1.00 0.00 C ATOM 726 CD ARG B 22 6.961 -0.242 5.989 1.00 0.00 C ATOM 727 NE ARG B 22 5.829 0.577 6.486 1.00 0.00 N ATOM 728 CZ ARG B 22 5.510 1.800 6.068 1.00 0.00 C ATOM 729 NH1 ARG B 22 6.126 2.436 5.116 1.00 0.00 N ATOM 730 NH2 ARG B 22 4.524 2.394 6.643 1.00 0.00 N ATOM 0 H ARG B 22 10.693 -3.107 6.423 1.00 0.00 H new ATOM 0 HA ARG B 22 9.359 -2.011 8.519 1.00 0.00 H new ATOM 0 HB2 ARG B 22 9.080 -1.718 6.006 1.00 0.00 H new ATOM 0 HB3 ARG B 22 8.038 -3.127 6.007 1.00 0.00 H new ATOM 0 HG2 ARG B 22 6.269 -2.008 6.997 1.00 0.00 H new ATOM 0 HG3 ARG B 22 7.309 -0.989 7.973 1.00 0.00 H new ATOM 0 HD2 ARG B 22 7.865 0.362 5.912 1.00 0.00 H new ATOM 0 HD3 ARG B 22 6.747 -0.624 4.991 1.00 0.00 H new ATOM 0 HE ARG B 22 5.243 0.167 7.213 1.00 0.00 H new ATOM 0 HH11 ARG B 22 6.912 1.998 4.635 1.00 0.00 H new ATOM 0 HH12 ARG B 22 5.824 3.373 4.850 1.00 0.00 H new ATOM 0 HH21 ARG B 22 4.015 1.927 7.393 1.00 0.00 H new ATOM 0 HH22 ARG B 22 4.252 3.332 6.348 1.00 0.00 H new ATOM 731 N ALA B 23 7.911 -4.924 8.581 1.00 0.00 N ATOM 732 CA ALA B 23 7.579 -5.999 9.562 1.00 0.00 C ATOM 733 C ALA B 23 8.581 -6.392 10.712 1.00 0.00 C ATOM 734 O ALA B 23 8.290 -6.137 11.875 1.00 0.00 O ATOM 735 CB ALA B 23 7.220 -7.214 8.697 1.00 0.00 C ATOM 0 H ALA B 23 7.806 -5.219 7.610 1.00 0.00 H new ATOM 0 HA ALA B 23 6.785 -5.590 10.186 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.961 -8.055 9.340 1.00 0.00 H new ATOM 0 HB2 ALA B 23 6.370 -6.969 8.061 1.00 0.00 H new ATOM 0 HB3 ALA B 23 8.074 -7.482 8.075 1.00 0.00 H new ATOM 736 N GLU B 24 9.704 -7.059 10.415 1.00 0.00 N ATOM 737 CA GLU B 24 10.718 -7.530 11.411 1.00 0.00 C ATOM 738 C GLU B 24 11.651 -6.456 12.079 1.00 0.00 C ATOM 739 O GLU B 24 12.026 -6.606 13.241 1.00 0.00 O ATOM 740 CB GLU B 24 11.556 -8.676 10.767 1.00 0.00 C ATOM 741 CG GLU B 24 10.805 -9.938 10.239 1.00 0.00 C ATOM 742 CD GLU B 24 9.838 -10.676 11.169 1.00 0.00 C ATOM 743 OE1 GLU B 24 10.336 -10.830 12.427 1.00 0.00 O ATOM 744 OE2 GLU B 24 8.745 -11.100 10.801 1.00 0.00 O ATOM 0 H GLU B 24 9.953 -7.300 9.456 1.00 0.00 H new ATOM 0 HA GLU B 24 10.127 -7.872 12.261 1.00 0.00 H new ATOM 0 HB2 GLU B 24 12.116 -8.250 9.934 1.00 0.00 H new ATOM 0 HB3 GLU B 24 12.286 -9.009 11.505 1.00 0.00 H new ATOM 0 HG2 GLU B 24 10.244 -9.639 9.353 1.00 0.00 H new ATOM 0 HG3 GLU B 24 11.558 -10.655 9.913 1.00 0.00 H new ATOM 745 N ALA B 25 11.995 -5.379 11.361 1.00 0.00 N ATOM 746 CA ALA B 25 12.318 -4.047 11.937 1.00 0.00 C ATOM 747 C ALA B 25 11.400 -3.541 13.116 1.00 0.00 C ATOM 748 O ALA B 25 11.924 -3.076 14.130 1.00 0.00 O ATOM 749 CB ALA B 25 12.220 -3.047 10.754 1.00 0.00 C ATOM 0 H ALA B 25 12.061 -5.399 10.343 1.00 0.00 H new ATOM 0 HA ALA B 25 13.303 -4.126 12.397 1.00 0.00 H new ATOM 0 HB1 ALA B 25 12.447 -2.041 11.108 1.00 0.00 H new ATOM 0 HB2 ALA B 25 12.933 -3.329 9.979 1.00 0.00 H new ATOM 0 HB3 ALA B 25 11.211 -3.068 10.343 1.00 0.00 H new ATOM 750 N ASN B 26 10.053 -3.611 12.970 1.00 0.00 N ATOM 751 CA ASN B 26 9.093 -3.146 14.019 1.00 0.00 C ATOM 752 C ASN B 26 8.567 -4.234 15.039 1.00 0.00 C ATOM 753 O ASN B 26 8.411 -3.942 16.226 1.00 0.00 O ATOM 754 CB ASN B 26 8.023 -2.297 13.259 1.00 0.00 C ATOM 755 CG ASN B 26 6.618 -2.842 13.060 1.00 0.00 C ATOM 756 OD1 ASN B 26 5.778 -2.896 13.947 1.00 0.00 O ATOM 757 ND2 ASN B 26 6.315 -3.224 11.864 1.00 0.00 N ATOM 0 H ASN B 26 9.600 -3.985 12.136 1.00 0.00 H new ATOM 0 HA ASN B 26 9.603 -2.527 14.756 1.00 0.00 H new ATOM 0 HB2 ASN B 26 7.930 -1.347 13.785 1.00 0.00 H new ATOM 0 HB3 ASN B 26 8.427 -2.076 12.271 1.00 0.00 H new ATOM 0 HD21 ASN B 26 5.377 -3.570 11.661 1.00 0.00 H new ATOM 0 HD22 ASN B 26 7.014 -3.180 11.122 1.00 0.00 H new ATOM 758 N GLY B 27 8.250 -5.448 14.563 1.00 0.00 N ATOM 759 CA GLY B 27 7.492 -6.489 15.326 1.00 0.00 C ATOM 760 C GLY B 27 6.084 -6.851 14.777 1.00 0.00 C ATOM 761 O GLY B 27 5.115 -6.858 15.536 1.00 0.00 O ATOM 0 H GLY B 27 8.510 -5.752 13.625 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.093 -7.398 15.355 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.381 -6.147 16.355 1.00 0.00 H new ATOM 762 N ARG B 28 5.948 -7.147 13.470 1.00 0.00 N ATOM 763 CA ARG B 28 4.623 -7.184 12.777 1.00 0.00 C ATOM 764 C ARG B 28 4.786 -8.099 11.556 1.00 0.00 C ATOM 765 O ARG B 28 5.040 -7.646 10.451 1.00 0.00 O ATOM 766 CB ARG B 28 4.264 -5.707 12.449 1.00 0.00 C ATOM 767 CG ARG B 28 2.793 -5.342 12.212 1.00 0.00 C ATOM 768 CD ARG B 28 2.670 -3.848 11.818 1.00 0.00 C ATOM 769 NE ARG B 28 1.513 -3.207 12.455 1.00 0.00 N ATOM 770 CZ ARG B 28 1.494 -2.739 13.708 1.00 0.00 C ATOM 771 NH1 ARG B 28 2.500 -2.787 14.534 1.00 0.00 N ATOM 772 NH2 ARG B 28 0.410 -2.202 14.136 1.00 0.00 N ATOM 0 H ARG B 28 6.737 -7.366 12.861 1.00 0.00 H new ATOM 0 HA ARG B 28 3.801 -7.593 13.364 1.00 0.00 H new ATOM 0 HB2 ARG B 28 4.630 -5.088 13.268 1.00 0.00 H new ATOM 0 HB3 ARG B 28 4.823 -5.421 11.558 1.00 0.00 H new ATOM 0 HG2 ARG B 28 2.377 -5.969 11.423 1.00 0.00 H new ATOM 0 HG3 ARG B 28 2.212 -5.537 13.114 1.00 0.00 H new ATOM 0 HD2 ARG B 28 3.580 -3.321 12.104 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.581 -3.764 10.735 1.00 0.00 H new ATOM 0 HE ARG B 28 0.661 -3.112 11.902 1.00 0.00 H new ATOM 0 HH11 ARG B 28 3.383 -3.205 14.239 1.00 0.00 H new ATOM 0 HH12 ARG B 28 2.405 -2.407 15.476 1.00 0.00 H new ATOM 0 HH21 ARG B 28 -0.405 -2.142 13.525 1.00 0.00 H new ATOM 0 HH22 ARG B 28 0.363 -1.836 15.087 1.00 0.00 H new ATOM 773 N SER B 29 4.607 -9.411 11.680 1.00 0.00 N ATOM 774 CA SER B 29 5.347 -10.354 10.779 1.00 0.00 C ATOM 775 C SER B 29 4.573 -10.431 9.437 1.00 0.00 C ATOM 776 O SER B 29 3.349 -10.459 9.497 1.00 0.00 O ATOM 777 CB SER B 29 5.513 -11.715 11.481 1.00 0.00 C ATOM 778 OG SER B 29 6.427 -12.536 10.753 1.00 0.00 O ATOM 0 H SER B 29 3.988 -9.854 12.359 1.00 0.00 H new ATOM 0 HA SER B 29 6.357 -10.007 10.561 1.00 0.00 H new ATOM 0 HB2 SER B 29 5.877 -11.566 12.498 1.00 0.00 H new ATOM 0 HB3 SER B 29 4.547 -12.213 11.558 1.00 0.00 H new ATOM 0 HG SER B 29 7.278 -12.062 10.645 1.00 0.00 H new ATOM 779 N MET B 30 5.183 -10.264 8.253 1.00 0.00 N ATOM 780 CA MET B 30 4.499 -9.556 7.126 1.00 0.00 C ATOM 781 C MET B 30 3.029 -9.919 6.772 1.00 0.00 C ATOM 782 O MET B 30 2.281 -8.995 6.521 1.00 0.00 O ATOM 783 CB MET B 30 5.277 -9.683 5.815 1.00 0.00 C ATOM 784 CG MET B 30 6.366 -8.685 5.532 1.00 0.00 C ATOM 785 SD MET B 30 5.951 -7.797 4.047 1.00 0.00 S ATOM 786 CE MET B 30 7.063 -8.625 2.944 1.00 0.00 C ATOM 0 H MET B 30 6.124 -10.595 8.040 1.00 0.00 H new ATOM 0 HA MET B 30 4.473 -8.551 7.548 1.00 0.00 H new ATOM 0 HB2 MET B 30 5.722 -10.677 5.788 1.00 0.00 H new ATOM 0 HB3 MET B 30 4.559 -9.633 4.996 1.00 0.00 H new ATOM 0 HG2 MET B 30 6.473 -7.994 6.368 1.00 0.00 H new ATOM 0 HG3 MET B 30 7.323 -9.193 5.414 1.00 0.00 H new ATOM 0 HE1 MET B 30 6.946 -8.221 1.938 1.00 0.00 H new ATOM 0 HE2 MET B 30 8.089 -8.472 3.279 1.00 0.00 H new ATOM 0 HE3 MET B 30 6.840 -9.692 2.935 1.00 0.00 H new ATOM 787 N ASN B 31 2.508 -11.149 6.766 1.00 0.00 N ATOM 788 CA ASN B 31 1.017 -11.312 6.707 1.00 0.00 C ATOM 789 C ASN B 31 0.203 -10.424 7.743 1.00 0.00 C ATOM 790 O ASN B 31 -0.732 -9.747 7.325 1.00 0.00 O ATOM 791 CB ASN B 31 0.608 -12.806 6.663 1.00 0.00 C ATOM 792 CG ASN B 31 -0.534 -13.132 5.698 1.00 0.00 C ATOM 793 OD1 ASN B 31 -0.413 -13.992 4.838 1.00 0.00 O ATOM 794 ND2 ASN B 31 -1.636 -12.428 5.735 1.00 0.00 N ATOM 0 H ASN B 31 3.045 -12.016 6.799 1.00 0.00 H new ATOM 0 HA ASN B 31 0.705 -10.885 5.754 1.00 0.00 H new ATOM 0 HB2 ASN B 31 1.480 -13.398 6.385 1.00 0.00 H new ATOM 0 HB3 ASN B 31 0.317 -13.118 7.666 1.00 0.00 H new ATOM 0 HD21 ASN B 31 -2.375 -12.601 5.054 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -1.756 -11.706 6.445 1.00 0.00 H new ATOM 795 N SER B 32 0.696 -10.268 8.988 1.00 0.00 N ATOM 796 CA SER B 32 0.516 -9.030 9.802 1.00 0.00 C ATOM 797 C SER B 32 1.002 -7.647 9.224 1.00 0.00 C ATOM 798 O SER B 32 0.114 -6.830 8.974 1.00 0.00 O ATOM 799 CB SER B 32 0.921 -9.336 11.266 1.00 0.00 C ATOM 800 OG SER B 32 0.883 -8.179 12.104 1.00 0.00 O ATOM 0 H SER B 32 1.232 -10.993 9.466 1.00 0.00 H new ATOM 0 HA SER B 32 -0.548 -8.800 9.752 1.00 0.00 H new ATOM 0 HB2 SER B 32 0.253 -10.095 11.672 1.00 0.00 H new ATOM 0 HB3 SER B 32 1.927 -9.756 11.280 1.00 0.00 H new ATOM 0 HG SER B 32 1.145 -8.426 13.015 1.00 0.00 H new ATOM 801 N GLU B 33 2.300 -7.307 9.005 1.00 0.00 N ATOM 802 CA GLU B 33 2.644 -5.923 8.478 1.00 0.00 C ATOM 803 C GLU B 33 2.165 -5.612 7.048 1.00 0.00 C ATOM 804 O GLU B 33 1.554 -4.575 6.844 1.00 0.00 O ATOM 805 CB GLU B 33 4.130 -5.548 8.367 1.00 0.00 C ATOM 806 CG GLU B 33 4.560 -4.116 7.904 1.00 0.00 C ATOM 807 CD GLU B 33 4.034 -2.896 8.660 1.00 0.00 C ATOM 808 OE1 GLU B 33 2.864 -2.531 8.647 1.00 0.00 O ATOM 809 OE2 GLU B 33 5.013 -2.240 9.332 1.00 0.00 O ATOM 0 H GLU B 33 3.098 -7.921 9.168 1.00 0.00 H new ATOM 0 HA GLU B 33 2.129 -5.367 9.262 1.00 0.00 H new ATOM 0 HB2 GLU B 33 4.577 -5.716 9.347 1.00 0.00 H new ATOM 0 HB3 GLU B 33 4.590 -6.259 7.680 1.00 0.00 H new ATOM 0 HG2 GLU B 33 5.649 -4.075 7.934 1.00 0.00 H new ATOM 0 HG3 GLU B 33 4.265 -4.007 6.860 1.00 0.00 H new ATOM 810 N LEU B 34 2.527 -6.443 6.044 1.00 0.00 N ATOM 811 CA LEU B 34 1.929 -6.422 4.697 1.00 0.00 C ATOM 812 C LEU B 34 0.402 -6.183 4.851 1.00 0.00 C ATOM 813 O LEU B 34 -0.014 -5.161 4.338 1.00 0.00 O ATOM 814 CB LEU B 34 2.291 -7.710 3.907 1.00 0.00 C ATOM 815 CG LEU B 34 2.662 -7.658 2.400 1.00 0.00 C ATOM 816 CD1 LEU B 34 2.459 -8.993 1.674 1.00 0.00 C ATOM 817 CD2 LEU B 34 2.010 -6.598 1.496 1.00 0.00 C ATOM 0 H LEU B 34 3.251 -7.153 6.152 1.00 0.00 H new ATOM 0 HA LEU B 34 2.337 -5.606 4.100 1.00 0.00 H new ATOM 0 HB2 LEU B 34 3.131 -8.174 4.425 1.00 0.00 H new ATOM 0 HB3 LEU B 34 1.444 -8.389 4.002 1.00 0.00 H new ATOM 0 HG LEU B 34 3.708 -7.375 2.519 1.00 0.00 H new ATOM 0 HD11 LEU B 34 2.738 -8.883 0.626 1.00 0.00 H new ATOM 0 HD12 LEU B 34 3.083 -9.758 2.137 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.412 -9.289 1.742 1.00 0.00 H new ATOM 0 HD21 LEU B 34 2.384 -6.708 0.478 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.928 -6.731 1.501 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.255 -5.603 1.867 1.00 0.00 H new ATOM 818 N LEU B 35 -0.432 -6.955 5.622 1.00 0.00 N ATOM 819 CA LEU B 35 -1.870 -6.589 5.731 1.00 0.00 C ATOM 820 C LEU B 35 -2.148 -5.230 6.383 1.00 0.00 C ATOM 821 O LEU B 35 -2.830 -4.417 5.779 1.00 0.00 O ATOM 822 CB LEU B 35 -2.784 -7.631 6.418 1.00 0.00 C ATOM 823 CG LEU B 35 -3.354 -8.751 5.537 1.00 0.00 C ATOM 824 CD1 LEU B 35 -4.377 -9.505 6.381 1.00 0.00 C ATOM 825 CD2 LEU B 35 -4.072 -8.166 4.299 1.00 0.00 C ATOM 0 H LEU B 35 -0.149 -7.784 6.145 1.00 0.00 H new ATOM 0 HA LEU B 35 -2.128 -6.545 4.673 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -2.221 -8.092 7.229 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -3.620 -7.100 6.873 1.00 0.00 H new ATOM 0 HG LEU B 35 -2.548 -9.399 5.192 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -4.810 -10.314 5.792 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -3.887 -9.920 7.262 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -5.166 -8.821 6.693 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.468 -8.979 3.690 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -4.891 -7.524 4.623 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -3.364 -7.582 3.710 1.00 0.00 H new ATOM 826 N GLN B 36 -1.639 -4.999 7.583 1.00 0.00 N ATOM 827 CA GLN B 36 -1.806 -3.707 8.283 1.00 0.00 C ATOM 828 C GLN B 36 -1.300 -2.447 7.502 1.00 0.00 C ATOM 829 O GLN B 36 -2.000 -1.434 7.524 1.00 0.00 O ATOM 830 CB GLN B 36 -1.231 -3.932 9.707 1.00 0.00 C ATOM 831 CG GLN B 36 -1.699 -2.924 10.789 1.00 0.00 C ATOM 832 CD GLN B 36 -0.976 -1.592 10.998 1.00 0.00 C ATOM 833 OE1 GLN B 36 -1.210 -0.915 11.988 1.00 0.00 O ATOM 834 NE2 GLN B 36 -0.062 -1.164 10.172 1.00 0.00 N ATOM 0 H GLN B 36 -1.100 -5.688 8.108 1.00 0.00 H new ATOM 0 HA GLN B 36 -2.857 -3.428 8.354 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -1.500 -4.937 10.033 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -0.143 -3.896 9.649 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -2.742 -2.690 10.576 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -1.679 -3.450 11.744 1.00 0.00 H new ATOM 0 HE21 GLN B 36 0.161 -1.702 9.335 1.00 0.00 H new ATOM 0 HE22 GLN B 36 0.430 -0.291 10.363 1.00 0.00 H new ATOM 835 N ILE B 37 -0.175 -2.514 6.763 1.00 0.00 N ATOM 836 CA ILE B 37 0.211 -1.500 5.744 1.00 0.00 C ATOM 837 C ILE B 37 -0.662 -1.469 4.464 1.00 0.00 C ATOM 838 O ILE B 37 -0.779 -0.402 3.918 1.00 0.00 O ATOM 839 CB ILE B 37 1.750 -1.614 5.420 1.00 0.00 C ATOM 840 CG1 ILE B 37 2.521 -0.271 5.401 1.00 0.00 C ATOM 841 CG2 ILE B 37 2.054 -2.439 4.148 1.00 0.00 C ATOM 842 CD1 ILE B 37 2.336 0.651 4.185 1.00 0.00 C ATOM 0 H ILE B 37 0.499 -3.274 6.852 1.00 0.00 H new ATOM 0 HA ILE B 37 0.009 -0.532 6.202 1.00 0.00 H new ATOM 0 HB ILE B 37 2.134 -2.167 6.277 1.00 0.00 H new ATOM 0 HG12 ILE B 37 2.237 0.290 6.291 1.00 0.00 H new ATOM 0 HG13 ILE B 37 3.584 -0.495 5.491 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.131 -2.475 3.987 1.00 0.00 H new ATOM 0 HG22 ILE B 37 1.671 -3.452 4.271 1.00 0.00 H new ATOM 0 HG23 ILE B 37 1.574 -1.972 3.288 1.00 0.00 H new ATOM 0 HD11 ILE B 37 2.938 1.551 4.316 1.00 0.00 H new ATOM 0 HD12 ILE B 37 2.654 0.130 3.282 1.00 0.00 H new ATOM 0 HD13 ILE B 37 1.285 0.927 4.094 1.00 0.00 H new ATOM 843 N VAL B 38 -1.126 -2.588 3.913 1.00 0.00 N ATOM 844 CA VAL B 38 -1.953 -2.708 2.675 1.00 0.00 C ATOM 845 C VAL B 38 -3.440 -2.244 2.919 1.00 0.00 C ATOM 846 O VAL B 38 -3.994 -1.451 2.158 1.00 0.00 O ATOM 847 CB VAL B 38 -1.907 -4.214 2.290 1.00 0.00 C ATOM 848 CG1 VAL B 38 -2.997 -4.879 1.453 1.00 0.00 C ATOM 849 CG2 VAL B 38 -0.569 -4.609 1.656 1.00 0.00 C ATOM 0 H VAL B 38 -0.934 -3.499 4.329 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.565 -2.068 1.882 1.00 0.00 H new ATOM 0 HB VAL B 38 -2.089 -4.600 3.293 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -2.754 -5.932 1.310 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -3.954 -4.794 1.968 1.00 0.00 H new ATOM 0 HG13 VAL B 38 -3.062 -4.387 0.483 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.585 -5.669 1.404 1.00 0.00 H new ATOM 0 HG22 VAL B 38 -0.408 -4.023 0.751 1.00 0.00 H new ATOM 0 HG23 VAL B 38 0.239 -4.415 2.361 1.00 0.00 H new ATOM 850 N GLN B 39 -4.070 -2.736 4.015 1.00 0.00 N ATOM 851 CA GLN B 39 -5.177 -2.046 4.720 1.00 0.00 C ATOM 852 C GLN B 39 -4.892 -0.541 4.996 1.00 0.00 C ATOM 853 O GLN B 39 -5.678 0.279 4.532 1.00 0.00 O ATOM 854 CB GLN B 39 -5.493 -2.833 6.035 1.00 0.00 C ATOM 855 CG GLN B 39 -6.422 -4.069 5.870 1.00 0.00 C ATOM 856 CD GLN B 39 -7.943 -3.862 5.805 1.00 0.00 C ATOM 857 OE1 GLN B 39 -8.712 -4.771 6.092 1.00 0.00 O ATOM 858 NE2 GLN B 39 -8.451 -2.717 5.426 1.00 0.00 N ATOM 0 H GLN B 39 -3.821 -3.631 4.437 1.00 0.00 H new ATOM 0 HA GLN B 39 -6.051 -2.044 4.069 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -4.552 -3.164 6.474 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -5.953 -2.147 6.746 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -6.122 -4.585 4.958 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -6.218 -4.745 6.700 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -7.835 -1.942 5.181 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -9.463 -2.600 5.376 1.00 0.00 H new ATOM 859 N ASP B 40 -3.744 -0.150 5.599 1.00 0.00 N ATOM 860 CA ASP B 40 -3.254 1.259 5.495 1.00 0.00 C ATOM 861 C ASP B 40 -3.116 1.912 4.071 1.00 0.00 C ATOM 862 O ASP B 40 -3.523 3.057 3.843 1.00 0.00 O ATOM 863 CB ASP B 40 -2.496 1.827 6.722 1.00 0.00 C ATOM 864 CG ASP B 40 -1.013 1.609 6.947 1.00 0.00 C ATOM 865 OD1 ASP B 40 -0.139 2.143 6.291 1.00 0.00 O ATOM 866 OD2 ASP B 40 -0.752 0.798 8.003 1.00 0.00 O ATOM 0 H ASP B 40 -3.148 -0.767 6.151 1.00 0.00 H new ATOM 0 HA ASP B 40 -4.160 1.843 5.656 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -2.652 2.906 6.711 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -3.004 1.441 7.606 1.00 0.00 H new ATOM 867 N ALA B 41 -2.691 1.127 3.080 1.00 0.00 N ATOM 868 CA ALA B 41 -2.307 1.605 1.737 1.00 0.00 C ATOM 869 C ALA B 41 -3.465 2.145 0.852 1.00 0.00 C ATOM 870 O ALA B 41 -3.416 3.246 0.290 1.00 0.00 O ATOM 871 CB ALA B 41 -1.436 0.494 1.105 1.00 0.00 C ATOM 0 H ALA B 41 -2.600 0.116 3.184 1.00 0.00 H new ATOM 0 HA ALA B 41 -1.724 2.521 1.827 1.00 0.00 H new ATOM 0 HB1 ALA B 41 -1.125 0.800 0.106 1.00 0.00 H new ATOM 0 HB2 ALA B 41 -0.555 0.326 1.724 1.00 0.00 H new ATOM 0 HB3 ALA B 41 -2.014 -0.428 1.039 1.00 0.00 H new ATOM 872 N LEU B 42 -4.514 1.335 0.797 1.00 0.00 N ATOM 873 CA LEU B 42 -5.768 1.623 0.053 1.00 0.00 C ATOM 874 C LEU B 42 -7.092 1.736 0.882 1.00 0.00 C ATOM 875 O LEU B 42 -8.119 2.101 0.302 1.00 0.00 O ATOM 876 CB LEU B 42 -5.827 0.639 -1.139 1.00 0.00 C ATOM 877 CG LEU B 42 -5.545 -0.865 -0.895 1.00 0.00 C ATOM 878 CD1 LEU B 42 -6.585 -1.538 0.013 1.00 0.00 C ATOM 879 CD2 LEU B 42 -5.453 -1.538 -2.256 1.00 0.00 C ATOM 0 H LEU B 42 -4.533 0.434 1.274 1.00 0.00 H new ATOM 0 HA LEU B 42 -5.714 2.653 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -6.820 0.719 -1.581 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -5.116 0.988 -1.888 1.00 0.00 H new ATOM 0 HG LEU B 42 -4.605 -0.971 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -6.329 -2.589 0.143 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -6.594 -1.044 0.985 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -7.572 -1.459 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -5.254 -2.602 -2.123 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -6.394 -1.408 -2.790 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.644 -1.087 -2.831 1.00 0.00 H new