USER MOD reduce.3.24.130724 H: found=0, std=0, add=1082, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1076 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 TYR OH : rot 30:sc= -0.31 USER MOD Set 1.2: A 125 LYS NZ :NH3+ -134:sc= 0.0465 (180deg=0) USER MOD Set 2.1: A 44 TYR OH : rot 130:sc= -2.21! USER MOD Set 2.2: A 119 SER OG : rot 127:sc= -0.337 USER MOD Set 3.1: A 35 THR OG1 : rot -90:sc= -3.1! USER MOD Set 3.2: A 36 THR OG1 : rot -120:sc= 0.0382 USER MOD Set 3.3: A 91 SER OG : rot -90:sc= -1.77 USER MOD Set 4.1: A 71 THR OG1 : rot 146:sc= -0.562 USER MOD Set 4.2: A 73 HIS : no HD1:sc= -10.3! C(o=-38!,f=-42!) USER MOD Set 4.3: A 75 HIS : no HE2:sc= -27.4! C(o=-38!,f=-53!) USER MOD Set 5.1: A 34 TYR OH : rot -67:sc= 0.18 USER MOD Set 5.2: A 64 HIS : no HD1:sc= -21! C(o=-21!,f=-20!) USER MOD Set 6.1: A 57 SER OG : rot -100:sc= -0.801! USER MOD Set 6.2: A 59 HIS : no HD1:sc= -8.53! C(o=-9.3!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -4.03! C(o=-5.7!,f=-4!) USER MOD Single : A 24 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 38:sc= -7.17! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -0.698 (180deg=-2.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -118:sc= -0.0512 (180deg=-0.556) USER MOD Single : A 50 LYS NZ :NH3+ -95:sc= -1.87! (180deg=-3.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.92 K(o=-1.9,f=-7.4!) USER MOD Single : A 61 SER OG : rot 140:sc= -3.71! USER MOD Single : A 62 TYR OH : rot 180:sc= -2.33! USER MOD Single : A 63 ASN : amide:sc= -3.46! C(o=-3.5!,f=-10!) USER MOD Single : A 65 ASN : amide:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.3) USER MOD Single : A 82 ASN : amide:sc= -0.598 K(o=-0.6,f=-3.8!) USER MOD Single : A 83 TYR OH : rot -130:sc= -3.12! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.68 F(o=-2.7,f=-0.68) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 27:sc= -2.14! USER MOD Single : A 89 THR OG1 : rot 1:sc= 1.68 USER MOD Single : A 95 CYS SG : rot -120:sc= -5.24! USER MOD Single : A 96 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.537) USER MOD Single : A 99 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.1!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 160:sc= -0.418 (180deg=-0.952) USER MOD Single : A 105 TYR OH : rot -166:sc= 0.0815 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -19:sc= 0.351 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 127 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-4.8!) USER MOD Single : A 130 ASN : amide:sc= -0.0963 K(o=-0.096,f=-0.74) USER MOD Single : A 133 SER OG : rot -53:sc= 0.385 USER MOD Single : A 134 SER OG : rot 180:sc= 0.0238 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 117.257 2.949 16.629 1.00 0.00 N ATOM 2 CA GLY A 1 118.581 2.190 16.540 1.00 0.00 C ATOM 3 C GLY A 1 118.895 1.149 17.558 1.00 0.00 C ATOM 4 O GLY A 1 120.037 0.782 17.753 1.00 0.00 O ATOM 0 H1 GLY A 1 117.196 3.634 15.849 1.00 0.00 H new ATOM 0 H2 GLY A 1 116.466 2.277 16.562 1.00 0.00 H new ATOM 0 H3 GLY A 1 117.206 3.454 17.537 1.00 0.00 H new ATOM 0 HA2 GLY A 1 118.620 1.713 15.561 1.00 0.00 H new ATOM 0 HA3 GLY A 1 119.383 2.927 16.567 1.00 0.00 H new ATOM 10 N SER A 2 117.898 0.646 18.233 1.00 0.00 N ATOM 11 CA SER A 2 118.149 -0.398 19.265 1.00 0.00 C ATOM 12 C SER A 2 117.334 -1.650 18.931 1.00 0.00 C ATOM 13 O SER A 2 117.078 -1.947 17.781 1.00 0.00 O ATOM 14 CB SER A 2 117.730 0.131 20.638 1.00 0.00 C ATOM 15 OG SER A 2 117.630 1.548 20.583 1.00 0.00 O ATOM 0 H SER A 2 116.921 0.913 18.114 1.00 0.00 H new ATOM 0 HA SER A 2 119.210 -0.647 19.280 1.00 0.00 H new ATOM 0 HB2 SER A 2 116.774 -0.302 20.931 1.00 0.00 H new ATOM 0 HB3 SER A 2 118.459 -0.165 21.393 1.00 0.00 H new ATOM 0 HG SER A 2 117.360 1.891 21.460 1.00 0.00 H new ATOM 21 N LYS A 3 116.925 -2.387 19.927 1.00 0.00 N ATOM 22 CA LYS A 3 116.127 -3.618 19.663 1.00 0.00 C ATOM 23 C LYS A 3 114.637 -3.279 19.713 1.00 0.00 C ATOM 24 O LYS A 3 113.860 -3.942 20.371 1.00 0.00 O ATOM 25 CB LYS A 3 116.449 -4.673 20.723 1.00 0.00 C ATOM 26 CG LYS A 3 116.310 -4.057 22.116 1.00 0.00 C ATOM 27 CD LYS A 3 115.304 -4.868 22.935 1.00 0.00 C ATOM 28 CE LYS A 3 115.186 -4.268 24.338 1.00 0.00 C ATOM 29 NZ LYS A 3 114.835 -5.342 25.309 1.00 0.00 N ATOM 0 H LYS A 3 117.108 -2.191 20.911 1.00 0.00 H new ATOM 0 HA LYS A 3 116.377 -4.009 18.677 1.00 0.00 H new ATOM 0 HB2 LYS A 3 115.775 -5.523 20.621 1.00 0.00 H new ATOM 0 HB3 LYS A 3 117.462 -5.050 20.580 1.00 0.00 H new ATOM 0 HG2 LYS A 3 117.278 -4.045 22.618 1.00 0.00 H new ATOM 0 HG3 LYS A 3 115.979 -3.022 22.036 1.00 0.00 H new ATOM 0 HD2 LYS A 3 114.331 -4.864 22.443 1.00 0.00 H new ATOM 0 HD3 LYS A 3 115.625 -5.908 22.998 1.00 0.00 H new ATOM 0 HE2 LYS A 3 116.127 -3.797 24.624 1.00 0.00 H new ATOM 0 HE3 LYS A 3 114.423 -3.489 24.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 114.755 -4.935 26.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 113.927 -5.772 25.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 115.578 -6.070 25.305 1.00 0.00 H new ATOM 43 N VAL A 4 114.235 -2.250 19.022 1.00 0.00 N ATOM 44 CA VAL A 4 112.798 -1.862 19.026 1.00 0.00 C ATOM 45 C VAL A 4 111.930 -3.110 18.856 1.00 0.00 C ATOM 46 O VAL A 4 112.272 -4.021 18.128 1.00 0.00 O ATOM 47 CB VAL A 4 112.530 -0.889 17.875 1.00 0.00 C ATOM 48 CG1 VAL A 4 112.906 -1.550 16.548 1.00 0.00 C ATOM 49 CG2 VAL A 4 111.045 -0.519 17.857 1.00 0.00 C ATOM 0 H VAL A 4 114.842 -1.659 18.453 1.00 0.00 H new ATOM 0 HA VAL A 4 112.554 -1.380 19.973 1.00 0.00 H new ATOM 0 HB VAL A 4 113.129 0.011 18.014 1.00 0.00 H new ATOM 0 HG11 VAL A 4 112.715 -0.857 15.729 1.00 0.00 H new ATOM 0 HG12 VAL A 4 113.963 -1.815 16.560 1.00 0.00 H new ATOM 0 HG13 VAL A 4 112.308 -2.451 16.408 1.00 0.00 H new ATOM 0 HG21 VAL A 4 110.853 0.174 17.038 1.00 0.00 H new ATOM 0 HG22 VAL A 4 110.447 -1.420 17.718 1.00 0.00 H new ATOM 0 HG23 VAL A 4 110.776 -0.047 18.802 1.00 0.00 H new ATOM 59 N GLU A 5 110.808 -3.161 19.520 1.00 0.00 N ATOM 60 CA GLU A 5 109.920 -4.350 19.393 1.00 0.00 C ATOM 61 C GLU A 5 109.057 -4.209 18.138 1.00 0.00 C ATOM 62 O GLU A 5 109.443 -3.573 17.177 1.00 0.00 O ATOM 63 CB GLU A 5 109.016 -4.447 20.624 1.00 0.00 C ATOM 64 CG GLU A 5 109.870 -4.403 21.893 1.00 0.00 C ATOM 65 CD GLU A 5 110.242 -5.827 22.308 1.00 0.00 C ATOM 66 OE1 GLU A 5 111.266 -6.308 21.851 1.00 0.00 O ATOM 67 OE2 GLU A 5 109.496 -6.414 23.074 1.00 0.00 O ATOM 0 H GLU A 5 110.468 -2.430 20.145 1.00 0.00 H new ATOM 0 HA GLU A 5 110.529 -5.251 19.318 1.00 0.00 H new ATOM 0 HB2 GLU A 5 108.300 -3.626 20.627 1.00 0.00 H new ATOM 0 HB3 GLU A 5 108.440 -5.372 20.593 1.00 0.00 H new ATOM 0 HG2 GLU A 5 110.772 -3.817 21.717 1.00 0.00 H new ATOM 0 HG3 GLU A 5 109.322 -3.910 22.696 1.00 0.00 H new ATOM 74 N ASP A 6 107.889 -4.793 18.140 1.00 0.00 N ATOM 75 CA ASP A 6 107.002 -4.689 16.948 1.00 0.00 C ATOM 76 C ASP A 6 107.007 -3.243 16.436 1.00 0.00 C ATOM 77 O ASP A 6 106.450 -2.368 17.068 1.00 0.00 O ATOM 78 CB ASP A 6 105.576 -5.078 17.343 1.00 0.00 C ATOM 79 CG ASP A 6 104.663 -4.986 16.119 1.00 0.00 C ATOM 80 OD1 ASP A 6 105.048 -4.328 15.166 1.00 0.00 O ATOM 81 OD2 ASP A 6 103.594 -5.573 16.155 1.00 0.00 O ATOM 0 H ASP A 6 107.512 -5.337 18.916 1.00 0.00 H new ATOM 0 HA ASP A 6 107.362 -5.357 16.165 1.00 0.00 H new ATOM 0 HB2 ASP A 6 105.562 -6.091 17.744 1.00 0.00 H new ATOM 0 HB3 ASP A 6 105.213 -4.418 18.131 1.00 0.00 H new ATOM 86 N PRO A 7 107.636 -3.032 15.305 1.00 0.00 N ATOM 87 CA PRO A 7 107.729 -1.697 14.691 1.00 0.00 C ATOM 88 C PRO A 7 106.422 -1.346 13.975 1.00 0.00 C ATOM 89 O PRO A 7 105.986 -2.041 13.079 1.00 0.00 O ATOM 90 CB PRO A 7 108.880 -1.838 13.694 1.00 0.00 C ATOM 91 CG PRO A 7 109.007 -3.348 13.383 1.00 0.00 C ATOM 92 CD PRO A 7 108.311 -4.097 14.534 1.00 0.00 C ATOM 0 HA PRO A 7 107.899 -0.902 15.417 1.00 0.00 H new ATOM 0 HB2 PRO A 7 108.679 -1.270 12.786 1.00 0.00 H new ATOM 0 HB3 PRO A 7 109.807 -1.449 14.114 1.00 0.00 H new ATOM 0 HG2 PRO A 7 108.540 -3.587 12.428 1.00 0.00 H new ATOM 0 HG3 PRO A 7 110.054 -3.641 13.308 1.00 0.00 H new ATOM 0 HD2 PRO A 7 107.597 -4.830 14.158 1.00 0.00 H new ATOM 0 HD3 PRO A 7 109.030 -4.639 15.149 1.00 0.00 H new ATOM 100 N LYS A 8 105.792 -0.271 14.368 1.00 0.00 N ATOM 101 CA LYS A 8 104.514 0.126 13.715 1.00 0.00 C ATOM 102 C LYS A 8 104.781 1.241 12.700 1.00 0.00 C ATOM 103 O LYS A 8 103.868 1.819 12.146 1.00 0.00 O ATOM 104 CB LYS A 8 103.537 0.631 14.779 1.00 0.00 C ATOM 105 CG LYS A 8 102.102 0.365 14.323 1.00 0.00 C ATOM 106 CD LYS A 8 101.315 1.676 14.325 1.00 0.00 C ATOM 107 CE LYS A 8 100.341 1.684 15.503 1.00 0.00 C ATOM 108 NZ LYS A 8 98.943 1.581 14.994 1.00 0.00 N ATOM 0 H LYS A 8 106.109 0.349 15.114 1.00 0.00 H new ATOM 0 HA LYS A 8 104.085 -0.735 13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 8 103.727 0.130 15.729 1.00 0.00 H new ATOM 0 HB3 LYS A 8 103.685 1.698 14.946 1.00 0.00 H new ATOM 0 HG2 LYS A 8 102.101 -0.070 13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 8 101.627 -0.358 14.986 1.00 0.00 H new ATOM 0 HD2 LYS A 8 101.998 2.522 14.398 1.00 0.00 H new ATOM 0 HD3 LYS A 8 100.770 1.787 13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 8 100.557 0.852 16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 8 100.462 2.599 16.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 98.280 1.586 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 98.740 2.389 14.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 98.832 0.696 14.460 1.00 0.00 H new ATOM 122 N ASP A 9 106.025 1.547 12.452 1.00 0.00 N ATOM 123 CA ASP A 9 106.346 2.626 11.474 1.00 0.00 C ATOM 124 C ASP A 9 107.851 2.628 11.189 1.00 0.00 C ATOM 125 O ASP A 9 108.652 2.329 12.052 1.00 0.00 O ATOM 126 CB ASP A 9 105.937 3.980 12.057 1.00 0.00 C ATOM 127 CG ASP A 9 106.456 4.097 13.492 1.00 0.00 C ATOM 128 OD1 ASP A 9 107.629 4.391 13.655 1.00 0.00 O ATOM 129 OD2 ASP A 9 105.671 3.893 14.403 1.00 0.00 O ATOM 0 H ASP A 9 106.832 1.097 12.883 1.00 0.00 H new ATOM 0 HA ASP A 9 105.801 2.449 10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 9 106.341 4.788 11.446 1.00 0.00 H new ATOM 0 HB3 ASP A 9 104.852 4.081 12.042 1.00 0.00 H new ATOM 134 N PHE A 10 108.240 2.964 9.984 1.00 0.00 N ATOM 135 CA PHE A 10 109.698 2.988 9.648 1.00 0.00 C ATOM 136 C PHE A 10 110.465 3.617 10.816 1.00 0.00 C ATOM 137 O PHE A 10 109.880 4.277 11.652 1.00 0.00 O ATOM 138 CB PHE A 10 109.952 3.831 8.386 1.00 0.00 C ATOM 139 CG PHE A 10 108.805 3.714 7.402 1.00 0.00 C ATOM 140 CD1 PHE A 10 107.712 4.585 7.494 1.00 0.00 C ATOM 141 CD2 PHE A 10 108.848 2.752 6.383 1.00 0.00 C ATOM 142 CE1 PHE A 10 106.660 4.489 6.574 1.00 0.00 C ATOM 143 CE2 PHE A 10 107.796 2.661 5.459 1.00 0.00 C ATOM 144 CZ PHE A 10 106.703 3.529 5.557 1.00 0.00 C ATOM 0 H PHE A 10 107.614 3.222 9.221 1.00 0.00 H new ATOM 0 HA PHE A 10 110.033 1.967 9.467 1.00 0.00 H new ATOM 0 HB2 PHE A 10 110.088 4.876 8.666 1.00 0.00 H new ATOM 0 HB3 PHE A 10 110.877 3.506 7.909 1.00 0.00 H new ATOM 0 HD1 PHE A 10 107.680 5.331 8.274 1.00 0.00 H new ATOM 0 HD2 PHE A 10 109.691 2.081 6.309 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.815 5.157 6.650 1.00 0.00 H new ATOM 0 HE2 PHE A 10 107.830 1.921 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 10 105.892 3.458 4.847 1.00 0.00 H new ATOM 154 N PRO A 11 111.755 3.400 10.839 1.00 0.00 N ATOM 155 CA PRO A 11 112.629 3.944 11.893 1.00 0.00 C ATOM 156 C PRO A 11 112.917 5.425 11.631 1.00 0.00 C ATOM 157 O PRO A 11 112.975 5.864 10.501 1.00 0.00 O ATOM 158 CB PRO A 11 113.903 3.105 11.772 1.00 0.00 C ATOM 159 CG PRO A 11 113.915 2.536 10.333 1.00 0.00 C ATOM 160 CD PRO A 11 112.461 2.595 9.823 1.00 0.00 C ATOM 0 HA PRO A 11 112.188 3.893 12.889 1.00 0.00 H new ATOM 0 HB2 PRO A 11 114.788 3.714 11.957 1.00 0.00 H new ATOM 0 HB3 PRO A 11 113.910 2.301 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 11 114.575 3.120 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 11 114.287 1.512 10.325 1.00 0.00 H new ATOM 0 HD2 PRO A 11 112.403 3.057 8.837 1.00 0.00 H new ATOM 0 HD3 PRO A 11 112.029 1.598 9.734 1.00 0.00 H new ATOM 168 N SER A 12 113.091 6.199 12.669 1.00 0.00 N ATOM 169 CA SER A 12 113.370 7.651 12.481 1.00 0.00 C ATOM 170 C SER A 12 114.430 7.840 11.395 1.00 0.00 C ATOM 171 O SER A 12 114.355 8.749 10.592 1.00 0.00 O ATOM 172 CB SER A 12 113.871 8.247 13.795 1.00 0.00 C ATOM 173 OG SER A 12 114.869 9.221 13.520 1.00 0.00 O ATOM 0 H SER A 12 113.052 5.887 13.639 1.00 0.00 H new ATOM 0 HA SER A 12 112.454 8.157 12.177 1.00 0.00 H new ATOM 0 HB2 SER A 12 113.044 8.702 14.340 1.00 0.00 H new ATOM 0 HB3 SER A 12 114.279 7.462 14.431 1.00 0.00 H new ATOM 0 HG SER A 12 115.191 9.606 14.362 1.00 0.00 H new ATOM 179 N GLU A 13 115.416 6.991 11.366 1.00 0.00 N ATOM 180 CA GLU A 13 116.481 7.123 10.333 1.00 0.00 C ATOM 181 C GLU A 13 115.849 7.119 8.940 1.00 0.00 C ATOM 182 O GLU A 13 116.161 7.944 8.103 1.00 0.00 O ATOM 183 CB GLU A 13 117.454 5.949 10.456 1.00 0.00 C ATOM 184 CG GLU A 13 118.859 6.408 10.067 1.00 0.00 C ATOM 185 CD GLU A 13 119.456 7.245 11.201 1.00 0.00 C ATOM 186 OE1 GLU A 13 119.177 6.936 12.347 1.00 0.00 O ATOM 187 OE2 GLU A 13 120.182 8.178 10.903 1.00 0.00 O ATOM 0 H GLU A 13 115.532 6.211 12.012 1.00 0.00 H new ATOM 0 HA GLU A 13 117.018 8.060 10.482 1.00 0.00 H new ATOM 0 HB2 GLU A 13 117.454 5.569 11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 13 117.136 5.130 9.811 1.00 0.00 H new ATOM 0 HG2 GLU A 13 119.493 5.544 9.866 1.00 0.00 H new ATOM 0 HG3 GLU A 13 118.820 6.995 9.149 1.00 0.00 H new ATOM 194 N LEU A 14 114.964 6.195 8.683 1.00 0.00 N ATOM 195 CA LEU A 14 114.312 6.134 7.343 1.00 0.00 C ATOM 196 C LEU A 14 113.094 7.061 7.322 1.00 0.00 C ATOM 197 O LEU A 14 112.459 7.241 6.302 1.00 0.00 O ATOM 198 CB LEU A 14 113.867 4.697 7.062 1.00 0.00 C ATOM 199 CG LEU A 14 114.529 4.188 5.778 1.00 0.00 C ATOM 200 CD1 LEU A 14 116.021 4.526 5.796 1.00 0.00 C ATOM 201 CD2 LEU A 14 114.353 2.671 5.684 1.00 0.00 C ATOM 0 H LEU A 14 114.664 5.478 9.344 1.00 0.00 H new ATOM 0 HA LEU A 14 115.020 6.453 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 14 114.136 4.053 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 14 112.782 4.656 6.963 1.00 0.00 H new ATOM 0 HG LEU A 14 114.062 4.666 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 14 116.488 4.162 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 14 116.149 5.606 5.863 1.00 0.00 H new ATOM 0 HD13 LEU A 14 116.491 4.051 6.657 1.00 0.00 H new ATOM 0 HD21 LEU A 14 114.823 2.306 4.771 1.00 0.00 H new ATOM 0 HD22 LEU A 14 114.820 2.196 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 14 113.290 2.428 5.667 1.00 0.00 H new ATOM 213 N LEU A 15 112.765 7.657 8.436 1.00 0.00 N ATOM 214 CA LEU A 15 111.591 8.574 8.470 1.00 0.00 C ATOM 215 C LEU A 15 112.013 9.953 7.957 1.00 0.00 C ATOM 216 O LEU A 15 111.256 10.903 8.002 1.00 0.00 O ATOM 217 CB LEU A 15 111.077 8.700 9.907 1.00 0.00 C ATOM 218 CG LEU A 15 110.399 7.395 10.328 1.00 0.00 C ATOM 219 CD1 LEU A 15 110.301 7.337 11.853 1.00 0.00 C ATOM 220 CD2 LEU A 15 108.991 7.337 9.727 1.00 0.00 C ATOM 0 H LEU A 15 113.258 7.549 9.322 1.00 0.00 H new ATOM 0 HA LEU A 15 110.798 8.174 7.838 1.00 0.00 H new ATOM 0 HB2 LEU A 15 111.904 8.925 10.581 1.00 0.00 H new ATOM 0 HB3 LEU A 15 110.372 9.528 9.980 1.00 0.00 H new ATOM 0 HG LEU A 15 110.986 6.550 9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 15 109.818 6.407 12.151 1.00 0.00 H new ATOM 0 HD12 LEU A 15 111.301 7.381 12.284 1.00 0.00 H new ATOM 0 HD13 LEU A 15 109.714 8.182 12.212 1.00 0.00 H new ATOM 0 HD21 LEU A 15 108.506 6.408 10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 15 108.406 8.184 10.087 1.00 0.00 H new ATOM 0 HD23 LEU A 15 109.057 7.378 8.640 1.00 0.00 H new ATOM 232 N SER A 16 113.221 10.071 7.470 1.00 0.00 N ATOM 233 CA SER A 16 113.692 11.386 6.955 1.00 0.00 C ATOM 234 C SER A 16 112.982 11.697 5.637 1.00 0.00 C ATOM 235 O SER A 16 112.980 12.820 5.171 1.00 0.00 O ATOM 236 CB SER A 16 115.202 11.331 6.723 1.00 0.00 C ATOM 237 OG SER A 16 115.647 12.589 6.234 1.00 0.00 O ATOM 0 H SER A 16 113.900 9.312 7.408 1.00 0.00 H new ATOM 0 HA SER A 16 113.466 12.166 7.682 1.00 0.00 H new ATOM 0 HB2 SER A 16 115.716 11.087 7.653 1.00 0.00 H new ATOM 0 HB3 SER A 16 115.444 10.544 6.009 1.00 0.00 H new ATOM 0 HG SER A 16 116.615 12.558 6.085 1.00 0.00 H new ATOM 243 N PHE A 17 112.373 10.713 5.037 1.00 0.00 N ATOM 244 CA PHE A 17 111.656 10.953 3.754 1.00 0.00 C ATOM 245 C PHE A 17 110.525 9.935 3.604 1.00 0.00 C ATOM 246 O PHE A 17 110.658 8.939 2.922 1.00 0.00 O ATOM 247 CB PHE A 17 112.627 10.818 2.577 1.00 0.00 C ATOM 248 CG PHE A 17 113.703 9.807 2.900 1.00 0.00 C ATOM 249 CD1 PHE A 17 113.404 8.673 3.664 1.00 0.00 C ATOM 250 CD2 PHE A 17 115.002 10.004 2.422 1.00 0.00 C ATOM 251 CE1 PHE A 17 114.407 7.739 3.950 1.00 0.00 C ATOM 252 CE2 PHE A 17 116.004 9.072 2.706 1.00 0.00 C ATOM 253 CZ PHE A 17 115.706 7.938 3.471 1.00 0.00 C ATOM 0 H PHE A 17 112.341 9.753 5.380 1.00 0.00 H new ATOM 0 HA PHE A 17 111.242 11.961 3.759 1.00 0.00 H new ATOM 0 HB2 PHE A 17 112.085 10.510 1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 17 113.080 11.785 2.358 1.00 0.00 H new ATOM 0 HD1 PHE A 17 112.401 8.519 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 17 115.232 10.879 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 17 114.178 6.864 4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 17 117.007 9.226 2.336 1.00 0.00 H new ATOM 0 HZ PHE A 17 116.479 7.217 3.691 1.00 0.00 H new ATOM 263 N LEU A 18 109.411 10.181 4.236 1.00 0.00 N ATOM 264 CA LEU A 18 108.267 9.234 4.133 1.00 0.00 C ATOM 265 C LEU A 18 107.008 10.005 3.740 1.00 0.00 C ATOM 266 O LEU A 18 107.072 11.126 3.278 1.00 0.00 O ATOM 267 CB LEU A 18 108.035 8.558 5.488 1.00 0.00 C ATOM 268 CG LEU A 18 108.364 7.067 5.395 1.00 0.00 C ATOM 269 CD1 LEU A 18 107.683 6.460 4.167 1.00 0.00 C ATOM 270 CD2 LEU A 18 109.879 6.892 5.283 1.00 0.00 C ATOM 0 H LEU A 18 109.244 11.000 4.821 1.00 0.00 H new ATOM 0 HA LEU A 18 108.491 8.478 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 18 108.657 9.029 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 18 106.998 8.691 5.797 1.00 0.00 H new ATOM 0 HG LEU A 18 108.002 6.559 6.289 1.00 0.00 H new ATOM 0 HD11 LEU A 18 107.921 5.398 4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 18 106.603 6.585 4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 18 108.038 6.963 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 18 110.119 5.831 5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 18 110.239 7.402 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 110.361 7.318 6.163 1.00 0.00 H new ATOM 282 N SER A 19 105.862 9.416 3.936 1.00 0.00 N ATOM 283 CA SER A 19 104.594 10.114 3.593 1.00 0.00 C ATOM 284 C SER A 19 103.755 10.261 4.862 1.00 0.00 C ATOM 285 O SER A 19 103.222 11.313 5.149 1.00 0.00 O ATOM 286 CB SER A 19 103.822 9.296 2.556 1.00 0.00 C ATOM 287 OG SER A 19 102.725 10.062 2.077 1.00 0.00 O ATOM 0 H SER A 19 105.749 8.478 4.320 1.00 0.00 H new ATOM 0 HA SER A 19 104.812 11.098 3.178 1.00 0.00 H new ATOM 0 HB2 SER A 19 104.478 9.023 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 19 103.465 8.367 3.001 1.00 0.00 H new ATOM 0 HG SER A 19 102.229 9.542 1.411 1.00 0.00 H new ATOM 293 N HIS A 20 103.647 9.209 5.630 1.00 0.00 N ATOM 294 CA HIS A 20 102.855 9.274 6.890 1.00 0.00 C ATOM 295 C HIS A 20 101.361 9.382 6.558 1.00 0.00 C ATOM 296 O HIS A 20 100.649 8.397 6.566 1.00 0.00 O ATOM 297 CB HIS A 20 103.308 10.485 7.713 1.00 0.00 C ATOM 298 CG HIS A 20 104.809 10.488 7.803 1.00 0.00 C ATOM 299 ND1 HIS A 20 105.720 11.512 7.899 1.00 0.00 N flip ATOM 300 CD2 HIS A 20 105.554 9.319 7.792 1.00 0.00 C flip ATOM 301 CE1 HIS A 20 107.010 10.988 7.946 1.00 0.00 C flip ATOM 302 NE2 HIS A 20 106.853 9.664 7.879 1.00 0.00 N flip ATOM 0 H HIS A 20 104.076 8.304 5.436 1.00 0.00 H new ATOM 0 HA HIS A 20 103.018 8.367 7.473 1.00 0.00 H new ATOM 0 HB2 HIS A 20 102.958 11.407 7.249 1.00 0.00 H new ATOM 0 HB3 HIS A 20 102.872 10.445 8.711 1.00 0.00 H new ATOM 0 HD1 HIS A 20 105.487 12.505 7.931 1.00 0.00 H new ATOM 0 HD2 HIS A 20 105.164 8.314 7.726 1.00 0.00 H new ATOM 0 HE1 HIS A 20 107.938 11.535 8.021 1.00 0.00 H new ATOM 310 N ALA A 21 100.876 10.559 6.262 1.00 0.00 N ATOM 311 CA ALA A 21 99.431 10.699 5.930 1.00 0.00 C ATOM 312 C ALA A 21 99.079 9.729 4.804 1.00 0.00 C ATOM 313 O ALA A 21 99.383 9.962 3.651 1.00 0.00 O ATOM 314 CB ALA A 21 99.145 12.134 5.481 1.00 0.00 C ATOM 0 H ALA A 21 101.416 11.424 6.236 1.00 0.00 H new ATOM 0 HA ALA A 21 98.829 10.472 6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 21 98.087 12.235 5.238 1.00 0.00 H new ATOM 0 HB2 ALA A 21 99.401 12.824 6.285 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.743 12.366 4.600 1.00 0.00 H new ATOM 320 N VAL A 22 98.444 8.639 5.130 1.00 0.00 N ATOM 321 CA VAL A 22 98.076 7.650 4.082 1.00 0.00 C ATOM 322 C VAL A 22 96.795 8.101 3.379 1.00 0.00 C ATOM 323 O VAL A 22 96.571 7.801 2.223 1.00 0.00 O ATOM 324 CB VAL A 22 97.851 6.284 4.728 1.00 0.00 C ATOM 325 CG1 VAL A 22 97.933 5.198 3.658 1.00 0.00 C ATOM 326 CG2 VAL A 22 98.928 6.035 5.787 1.00 0.00 C ATOM 0 H VAL A 22 98.164 8.390 6.079 1.00 0.00 H new ATOM 0 HA VAL A 22 98.882 7.578 3.352 1.00 0.00 H new ATOM 0 HB VAL A 22 96.868 6.262 5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 22 97.773 4.222 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 22 97.168 5.374 2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 22 98.917 5.222 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 98.767 5.060 6.248 1.00 0.00 H new ATOM 0 HG22 VAL A 22 99.912 6.057 5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 22 98.873 6.811 6.551 1.00 0.00 H new ATOM 336 N PHE A 23 95.953 8.819 4.068 1.00 0.00 N ATOM 337 CA PHE A 23 94.687 9.289 3.438 1.00 0.00 C ATOM 338 C PHE A 23 94.867 10.725 2.942 1.00 0.00 C ATOM 339 O PHE A 23 94.026 11.575 3.152 1.00 0.00 O ATOM 340 CB PHE A 23 93.557 9.244 4.468 1.00 0.00 C ATOM 341 CG PHE A 23 93.043 7.830 4.589 1.00 0.00 C ATOM 342 CD1 PHE A 23 93.915 6.798 4.958 1.00 0.00 C ATOM 343 CD2 PHE A 23 91.697 7.550 4.329 1.00 0.00 C ATOM 344 CE1 PHE A 23 93.439 5.486 5.068 1.00 0.00 C ATOM 345 CE2 PHE A 23 91.221 6.238 4.439 1.00 0.00 C ATOM 346 CZ PHE A 23 92.092 5.206 4.809 1.00 0.00 C ATOM 0 H PHE A 23 96.086 9.101 5.039 1.00 0.00 H new ATOM 0 HA PHE A 23 94.438 8.642 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 23 93.918 9.595 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 23 92.749 9.911 4.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 94.954 7.014 5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 23 91.025 8.346 4.043 1.00 0.00 H new ATOM 0 HE1 PHE A 23 94.111 4.690 5.353 1.00 0.00 H new ATOM 0 HE2 PHE A 23 90.182 6.022 4.238 1.00 0.00 H new ATOM 0 HZ PHE A 23 91.725 4.194 4.895 1.00 0.00 H new ATOM 356 N SER A 24 95.958 11.001 2.281 1.00 0.00 N ATOM 357 CA SER A 24 96.191 12.381 1.771 1.00 0.00 C ATOM 358 C SER A 24 95.436 12.569 0.454 1.00 0.00 C ATOM 359 O SER A 24 94.786 11.666 -0.035 1.00 0.00 O ATOM 360 CB SER A 24 97.687 12.593 1.538 1.00 0.00 C ATOM 361 OG SER A 24 98.205 11.498 0.792 1.00 0.00 O ATOM 0 H SER A 24 96.698 10.330 2.072 1.00 0.00 H new ATOM 0 HA SER A 24 95.833 13.106 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 24 97.855 13.526 1.000 1.00 0.00 H new ATOM 0 HB3 SER A 24 98.207 12.677 2.492 1.00 0.00 H new ATOM 0 HG SER A 24 99.164 11.631 0.639 1.00 0.00 H new ATOM 367 N ASN A 25 95.516 13.735 -0.125 1.00 0.00 N ATOM 368 CA ASN A 25 94.804 13.981 -1.410 1.00 0.00 C ATOM 369 C ASN A 25 95.749 13.686 -2.578 1.00 0.00 C ATOM 370 O ASN A 25 96.799 13.101 -2.404 1.00 0.00 O ATOM 371 CB ASN A 25 94.354 15.443 -1.469 1.00 0.00 C ATOM 372 CG ASN A 25 93.026 15.598 -0.727 1.00 0.00 C ATOM 373 OD1 ASN A 25 92.775 14.836 0.302 1.00 0.00 O flip ATOM 374 ND2 ASN A 25 92.209 16.422 -1.086 1.00 0.00 N flip ATOM 0 H ASN A 25 96.044 14.529 0.237 1.00 0.00 H new ATOM 0 HA ASN A 25 93.932 13.331 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 25 95.111 16.086 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 25 94.242 15.759 -2.506 1.00 0.00 H new ATOM 0 HD21 ASN A 25 92.405 17.018 -1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 25 91.327 16.518 -0.583 1.00 0.00 H new ATOM 381 N ARG A 26 95.386 14.087 -3.766 1.00 0.00 N ATOM 382 CA ARG A 26 96.264 13.831 -4.939 1.00 0.00 C ATOM 383 C ARG A 26 96.406 12.323 -5.150 1.00 0.00 C ATOM 384 O ARG A 26 95.747 11.532 -4.505 1.00 0.00 O ATOM 385 CB ARG A 26 97.640 14.444 -4.683 1.00 0.00 C ATOM 386 CG ARG A 26 97.494 15.947 -4.447 1.00 0.00 C ATOM 387 CD ARG A 26 96.762 16.581 -5.631 1.00 0.00 C ATOM 388 NE ARG A 26 97.388 16.124 -6.904 1.00 0.00 N ATOM 389 CZ ARG A 26 98.527 16.629 -7.289 1.00 0.00 C ATOM 390 NH1 ARG A 26 98.759 17.905 -7.140 1.00 0.00 N ATOM 391 NH2 ARG A 26 99.436 15.859 -7.823 1.00 0.00 N ATOM 0 H ARG A 26 94.518 14.581 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 26 95.825 14.280 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 26 98.104 13.973 -3.817 1.00 0.00 H new ATOM 0 HB3 ARG A 26 98.295 14.261 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 26 96.942 16.129 -3.525 1.00 0.00 H new ATOM 0 HG3 ARG A 26 98.476 16.404 -4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 26 95.708 16.304 -5.611 1.00 0.00 H new ATOM 0 HD3 ARG A 26 96.807 17.668 -5.561 1.00 0.00 H new ATOM 0 HE ARG A 26 96.925 15.416 -7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 26 98.049 18.507 -6.722 1.00 0.00 H new ATOM 0 HH12 ARG A 26 99.650 18.300 -7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 26 99.255 14.862 -7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 26 100.327 16.255 -8.124 1.00 0.00 H new ATOM 405 N THR A 27 97.260 11.917 -6.049 1.00 0.00 N ATOM 406 CA THR A 27 97.440 10.459 -6.297 1.00 0.00 C ATOM 407 C THR A 27 98.926 10.105 -6.213 1.00 0.00 C ATOM 408 O THR A 27 99.735 10.594 -6.975 1.00 0.00 O ATOM 409 CB THR A 27 96.908 10.111 -7.690 1.00 0.00 C ATOM 410 OG1 THR A 27 97.111 11.215 -8.561 1.00 0.00 O ATOM 411 CG2 THR A 27 95.414 9.795 -7.603 1.00 0.00 C ATOM 0 H THR A 27 97.840 12.531 -6.621 1.00 0.00 H new ATOM 0 HA THR A 27 96.891 9.891 -5.546 1.00 0.00 H new ATOM 0 HB THR A 27 97.439 9.241 -8.076 1.00 0.00 H new ATOM 0 HG1 THR A 27 96.773 10.994 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 27 95.036 9.547 -8.595 1.00 0.00 H new ATOM 0 HG22 THR A 27 95.260 8.948 -6.934 1.00 0.00 H new ATOM 0 HG23 THR A 27 94.880 10.664 -7.218 1.00 0.00 H new ATOM 419 N LEU A 28 99.289 9.255 -5.291 1.00 0.00 N ATOM 420 CA LEU A 28 100.722 8.868 -5.158 1.00 0.00 C ATOM 421 C LEU A 28 100.937 7.491 -5.789 1.00 0.00 C ATOM 422 O LEU A 28 100.240 6.543 -5.485 1.00 0.00 O ATOM 423 CB LEU A 28 101.099 8.813 -3.676 1.00 0.00 C ATOM 424 CG LEU A 28 102.359 9.647 -3.439 1.00 0.00 C ATOM 425 CD1 LEU A 28 101.978 11.125 -3.335 1.00 0.00 C ATOM 426 CD2 LEU A 28 103.026 9.201 -2.135 1.00 0.00 C ATOM 0 H LEU A 28 98.656 8.812 -4.625 1.00 0.00 H new ATOM 0 HA LEU A 28 101.347 9.603 -5.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 100.279 9.193 -3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 28 101.271 7.781 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 28 103.051 9.506 -4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 28 102.875 11.721 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 28 101.500 11.444 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 28 101.287 11.265 -2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 28 103.924 9.794 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 28 102.334 9.344 -1.305 1.00 0.00 H new ATOM 0 HD23 LEU A 28 103.295 8.147 -2.206 1.00 0.00 H new ATOM 438 N ALA A 29 101.897 7.372 -6.664 1.00 0.00 N ATOM 439 CA ALA A 29 102.153 6.056 -7.312 1.00 0.00 C ATOM 440 C ALA A 29 103.394 5.407 -6.684 1.00 0.00 C ATOM 441 O ALA A 29 103.730 4.277 -6.977 1.00 0.00 O ATOM 442 CB ALA A 29 102.388 6.262 -8.809 1.00 0.00 C ATOM 0 H ALA A 29 102.515 8.129 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 29 101.290 5.406 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 29 102.575 5.299 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 29 101.506 6.721 -9.256 1.00 0.00 H new ATOM 0 HB3 ALA A 29 103.250 6.913 -8.956 1.00 0.00 H new ATOM 448 N CYS A 30 104.076 6.116 -5.819 1.00 0.00 N ATOM 449 CA CYS A 30 105.293 5.542 -5.167 1.00 0.00 C ATOM 450 C CYS A 30 104.911 5.020 -3.780 1.00 0.00 C ATOM 451 O CYS A 30 104.344 5.734 -2.976 1.00 0.00 O ATOM 452 CB CYS A 30 106.361 6.628 -5.033 1.00 0.00 C ATOM 453 SG CYS A 30 107.756 5.985 -4.076 1.00 0.00 S ATOM 0 H CYS A 30 103.842 7.068 -5.536 1.00 0.00 H new ATOM 0 HA CYS A 30 105.689 4.726 -5.772 1.00 0.00 H new ATOM 0 HB2 CYS A 30 106.698 6.945 -6.020 1.00 0.00 H new ATOM 0 HB3 CYS A 30 105.943 7.506 -4.541 1.00 0.00 H new ATOM 0 HG CYS A 30 107.956 4.738 -4.385 1.00 0.00 H new ATOM 459 N PHE A 31 105.182 3.771 -3.502 1.00 0.00 N ATOM 460 CA PHE A 31 104.790 3.212 -2.179 1.00 0.00 C ATOM 461 C PHE A 31 106.006 2.613 -1.462 1.00 0.00 C ATOM 462 O PHE A 31 106.936 2.135 -2.083 1.00 0.00 O ATOM 463 CB PHE A 31 103.756 2.104 -2.401 1.00 0.00 C ATOM 464 CG PHE A 31 102.506 2.661 -3.051 1.00 0.00 C ATOM 465 CD1 PHE A 31 102.583 3.329 -4.276 1.00 0.00 C ATOM 466 CD2 PHE A 31 101.263 2.492 -2.436 1.00 0.00 C ATOM 467 CE1 PHE A 31 101.434 3.825 -4.883 1.00 0.00 C ATOM 468 CE2 PHE A 31 100.110 2.997 -3.047 1.00 0.00 C ATOM 469 CZ PHE A 31 100.195 3.664 -4.273 1.00 0.00 C ATOM 0 H PHE A 31 105.654 3.120 -4.130 1.00 0.00 H new ATOM 0 HA PHE A 31 104.377 4.013 -1.565 1.00 0.00 H new ATOM 0 HB2 PHE A 31 104.182 1.323 -3.031 1.00 0.00 H new ATOM 0 HB3 PHE A 31 103.501 1.641 -1.448 1.00 0.00 H new ATOM 0 HD1 PHE A 31 103.542 3.461 -4.755 1.00 0.00 H new ATOM 0 HD2 PHE A 31 101.192 1.973 -1.492 1.00 0.00 H new ATOM 0 HE1 PHE A 31 101.504 4.337 -5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 31 99.150 2.871 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 31 99.303 4.052 -4.743 1.00 0.00 H new ATOM 479 N ALA A 32 105.989 2.615 -0.154 1.00 0.00 N ATOM 480 CA ALA A 32 107.120 2.027 0.622 1.00 0.00 C ATOM 481 C ALA A 32 106.546 1.041 1.640 1.00 0.00 C ATOM 482 O ALA A 32 105.969 1.431 2.636 1.00 0.00 O ATOM 483 CB ALA A 32 107.880 3.129 1.362 1.00 0.00 C ATOM 0 H ALA A 32 105.234 3.002 0.413 1.00 0.00 H new ATOM 0 HA ALA A 32 107.806 1.521 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 32 108.703 2.689 1.925 1.00 0.00 H new ATOM 0 HB2 ALA A 32 108.275 3.845 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 32 107.204 3.640 2.048 1.00 0.00 H new ATOM 489 N ILE A 33 106.685 -0.233 1.398 1.00 0.00 N ATOM 490 CA ILE A 33 106.128 -1.229 2.354 1.00 0.00 C ATOM 491 C ILE A 33 107.211 -1.687 3.329 1.00 0.00 C ATOM 492 O ILE A 33 108.067 -2.485 3.003 1.00 0.00 O ATOM 493 CB ILE A 33 105.577 -2.423 1.576 1.00 0.00 C ATOM 494 CG1 ILE A 33 104.575 -1.907 0.543 1.00 0.00 C ATOM 495 CG2 ILE A 33 104.877 -3.385 2.540 1.00 0.00 C ATOM 496 CD1 ILE A 33 103.902 -3.074 -0.180 1.00 0.00 C ATOM 0 H ILE A 33 107.158 -0.626 0.584 1.00 0.00 H new ATOM 0 HA ILE A 33 105.322 -0.769 2.926 1.00 0.00 H new ATOM 0 HB ILE A 33 106.388 -2.952 1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 33 103.821 -1.293 1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 33 105.084 -1.269 -0.179 1.00 0.00 H new ATOM 0 HG21 ILE A 33 104.484 -4.236 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 33 105.591 -3.737 3.285 1.00 0.00 H new ATOM 0 HG23 ILE A 33 104.057 -2.868 3.038 1.00 0.00 H new ATOM 0 HD11 ILE A 33 103.192 -2.688 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 33 104.658 -3.672 -0.689 1.00 0.00 H new ATOM 0 HD13 ILE A 33 103.375 -3.695 0.544 1.00 0.00 H new ATOM 508 N TYR A 34 107.168 -1.186 4.532 1.00 0.00 N ATOM 509 CA TYR A 34 108.175 -1.580 5.555 1.00 0.00 C ATOM 510 C TYR A 34 107.571 -2.677 6.429 1.00 0.00 C ATOM 511 O TYR A 34 106.746 -2.421 7.283 1.00 0.00 O ATOM 512 CB TYR A 34 108.526 -0.361 6.416 1.00 0.00 C ATOM 513 CG TYR A 34 109.181 -0.803 7.706 1.00 0.00 C ATOM 514 CD1 TYR A 34 110.283 -1.665 7.674 1.00 0.00 C ATOM 515 CD2 TYR A 34 108.687 -0.345 8.933 1.00 0.00 C ATOM 516 CE1 TYR A 34 110.889 -2.069 8.868 1.00 0.00 C ATOM 517 CE2 TYR A 34 109.292 -0.750 10.127 1.00 0.00 C ATOM 518 CZ TYR A 34 110.394 -1.612 10.095 1.00 0.00 C ATOM 519 OH TYR A 34 110.993 -2.011 11.273 1.00 0.00 O ATOM 0 H TYR A 34 106.471 -0.514 4.853 1.00 0.00 H new ATOM 0 HA TYR A 34 109.082 -1.947 5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 34 109.197 0.300 5.867 1.00 0.00 H new ATOM 0 HB3 TYR A 34 107.624 0.210 6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 34 110.665 -2.018 6.728 1.00 0.00 H new ATOM 0 HD2 TYR A 34 107.838 0.322 8.958 1.00 0.00 H new ATOM 0 HE1 TYR A 34 111.740 -2.734 8.843 1.00 0.00 H new ATOM 0 HE2 TYR A 34 108.909 -0.398 11.073 1.00 0.00 H new ATOM 0 HH TYR A 34 110.844 -2.970 11.407 1.00 0.00 H new ATOM 529 N THR A 35 107.964 -3.900 6.215 1.00 0.00 N ATOM 530 CA THR A 35 107.397 -5.010 7.028 1.00 0.00 C ATOM 531 C THR A 35 108.432 -6.128 7.145 1.00 0.00 C ATOM 532 O THR A 35 109.487 -6.080 6.541 1.00 0.00 O ATOM 533 CB THR A 35 106.122 -5.555 6.353 1.00 0.00 C ATOM 534 OG1 THR A 35 106.391 -6.831 5.792 1.00 0.00 O ATOM 535 CG2 THR A 35 105.655 -4.605 5.245 1.00 0.00 C ATOM 0 H THR A 35 108.651 -4.179 5.515 1.00 0.00 H new ATOM 0 HA THR A 35 107.144 -4.639 8.021 1.00 0.00 H new ATOM 0 HB THR A 35 105.337 -5.637 7.104 1.00 0.00 H new ATOM 0 HG1 THR A 35 106.700 -6.724 4.868 1.00 0.00 H new ATOM 0 HG21 THR A 35 104.754 -5.004 4.779 1.00 0.00 H new ATOM 0 HG22 THR A 35 105.439 -3.626 5.672 1.00 0.00 H new ATOM 0 HG23 THR A 35 106.439 -4.508 4.494 1.00 0.00 H new ATOM 543 N THR A 36 108.141 -7.140 7.915 1.00 0.00 N ATOM 544 CA THR A 36 109.108 -8.259 8.062 1.00 0.00 C ATOM 545 C THR A 36 109.564 -8.703 6.668 1.00 0.00 C ATOM 546 O THR A 36 108.824 -8.615 5.709 1.00 0.00 O ATOM 547 CB THR A 36 108.431 -9.428 8.785 1.00 0.00 C ATOM 548 OG1 THR A 36 107.216 -9.752 8.123 1.00 0.00 O ATOM 549 CG2 THR A 36 108.136 -9.032 10.235 1.00 0.00 C ATOM 0 H THR A 36 107.276 -7.239 8.447 1.00 0.00 H new ATOM 0 HA THR A 36 109.970 -7.934 8.644 1.00 0.00 H new ATOM 0 HB THR A 36 109.092 -10.294 8.775 1.00 0.00 H new ATOM 0 HG1 THR A 36 106.466 -9.645 8.745 1.00 0.00 H new ATOM 0 HG21 THR A 36 107.654 -9.864 10.749 1.00 0.00 H new ATOM 0 HG22 THR A 36 109.069 -8.784 10.741 1.00 0.00 H new ATOM 0 HG23 THR A 36 107.475 -8.166 10.248 1.00 0.00 H new ATOM 557 N LYS A 37 110.776 -9.168 6.547 1.00 0.00 N ATOM 558 CA LYS A 37 111.278 -9.604 5.217 1.00 0.00 C ATOM 559 C LYS A 37 110.355 -10.678 4.634 1.00 0.00 C ATOM 560 O LYS A 37 109.996 -10.639 3.474 1.00 0.00 O ATOM 561 CB LYS A 37 112.684 -10.177 5.386 1.00 0.00 C ATOM 562 CG LYS A 37 112.608 -11.490 6.166 1.00 0.00 C ATOM 563 CD LYS A 37 114.021 -11.970 6.498 1.00 0.00 C ATOM 564 CE LYS A 37 114.015 -12.687 7.848 1.00 0.00 C ATOM 565 NZ LYS A 37 115.052 -12.085 8.733 1.00 0.00 N ATOM 0 H LYS A 37 111.441 -9.265 7.314 1.00 0.00 H new ATOM 0 HA LYS A 37 111.300 -8.752 4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 37 113.139 -10.347 4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 37 113.318 -9.464 5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 37 112.036 -11.348 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 37 112.085 -12.244 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 37 114.380 -12.643 5.719 1.00 0.00 H new ATOM 0 HD3 LYS A 37 114.706 -11.123 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 37 113.032 -12.604 8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 37 114.213 -13.750 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 115.049 -12.572 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 115.988 -12.186 8.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 114.844 -11.076 8.875 1.00 0.00 H new ATOM 579 N GLU A 38 109.973 -11.639 5.428 1.00 0.00 N ATOM 580 CA GLU A 38 109.082 -12.719 4.925 1.00 0.00 C ATOM 581 C GLU A 38 107.913 -12.106 4.155 1.00 0.00 C ATOM 582 O GLU A 38 107.379 -12.701 3.239 1.00 0.00 O ATOM 583 CB GLU A 38 108.542 -13.525 6.107 1.00 0.00 C ATOM 584 CG GLU A 38 107.903 -14.818 5.594 1.00 0.00 C ATOM 585 CD GLU A 38 107.443 -15.667 6.780 1.00 0.00 C ATOM 586 OE1 GLU A 38 107.118 -15.091 7.806 1.00 0.00 O ATOM 587 OE2 GLU A 38 107.422 -16.879 6.643 1.00 0.00 O ATOM 0 H GLU A 38 110.242 -11.722 6.408 1.00 0.00 H new ATOM 0 HA GLU A 38 109.648 -13.374 4.263 1.00 0.00 H new ATOM 0 HB2 GLU A 38 109.349 -13.757 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 38 107.807 -12.937 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 38 107.055 -14.586 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 38 108.619 -15.375 4.991 1.00 0.00 H new ATOM 594 N LYS A 39 107.506 -10.923 4.523 1.00 0.00 N ATOM 595 CA LYS A 39 106.369 -10.274 3.819 1.00 0.00 C ATOM 596 C LYS A 39 106.866 -9.611 2.536 1.00 0.00 C ATOM 597 O LYS A 39 106.420 -9.938 1.459 1.00 0.00 O ATOM 598 CB LYS A 39 105.741 -9.230 4.738 1.00 0.00 C ATOM 599 CG LYS A 39 104.571 -9.867 5.484 1.00 0.00 C ATOM 600 CD LYS A 39 105.055 -11.113 6.231 1.00 0.00 C ATOM 601 CE LYS A 39 104.509 -12.367 5.544 1.00 0.00 C ATOM 602 NZ LYS A 39 105.016 -13.579 6.246 1.00 0.00 N ATOM 0 H LYS A 39 107.914 -10.378 5.283 1.00 0.00 H new ATOM 0 HA LYS A 39 105.622 -11.024 3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 39 106.481 -8.857 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 39 105.397 -8.375 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 39 104.143 -9.153 6.187 1.00 0.00 H new ATOM 0 HG3 LYS A 39 103.782 -10.135 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 39 106.145 -11.140 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 39 104.722 -11.080 7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 39 103.419 -12.356 5.556 1.00 0.00 H new ATOM 0 HE3 LYS A 39 104.816 -12.384 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 105.134 -14.353 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 105.933 -13.366 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 104.336 -13.865 6.979 1.00 0.00 H new ATOM 616 N ALA A 40 107.784 -8.688 2.638 1.00 0.00 N ATOM 617 CA ALA A 40 108.299 -8.017 1.407 1.00 0.00 C ATOM 618 C ALA A 40 108.516 -9.065 0.315 1.00 0.00 C ATOM 619 O ALA A 40 108.371 -8.790 -0.860 1.00 0.00 O ATOM 620 CB ALA A 40 109.630 -7.325 1.709 1.00 0.00 C ATOM 0 H ALA A 40 108.198 -8.370 3.514 1.00 0.00 H new ATOM 0 HA ALA A 40 107.574 -7.275 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 40 110.000 -6.838 0.807 1.00 0.00 H new ATOM 0 HB2 ALA A 40 109.483 -6.579 2.490 1.00 0.00 H new ATOM 0 HB3 ALA A 40 110.356 -8.065 2.046 1.00 0.00 H new ATOM 626 N ALA A 41 108.856 -10.267 0.693 1.00 0.00 N ATOM 627 CA ALA A 41 109.075 -11.332 -0.326 1.00 0.00 C ATOM 628 C ALA A 41 107.810 -11.489 -1.168 1.00 0.00 C ATOM 629 O ALA A 41 107.842 -11.415 -2.380 1.00 0.00 O ATOM 630 CB ALA A 41 109.388 -12.654 0.377 1.00 0.00 C ATOM 0 H ALA A 41 108.991 -10.557 1.661 1.00 0.00 H new ATOM 0 HA ALA A 41 109.911 -11.058 -0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 41 109.548 -13.433 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 41 110.287 -12.540 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 41 108.552 -12.932 1.019 1.00 0.00 H new ATOM 636 N LEU A 42 106.696 -11.705 -0.529 1.00 0.00 N ATOM 637 CA LEU A 42 105.419 -11.869 -1.279 1.00 0.00 C ATOM 638 C LEU A 42 105.036 -10.545 -1.941 1.00 0.00 C ATOM 639 O LEU A 42 104.526 -10.520 -3.038 1.00 0.00 O ATOM 640 CB LEU A 42 104.310 -12.286 -0.311 1.00 0.00 C ATOM 641 CG LEU A 42 104.718 -13.567 0.416 1.00 0.00 C ATOM 642 CD1 LEU A 42 104.425 -13.418 1.910 1.00 0.00 C ATOM 643 CD2 LEU A 42 103.919 -14.744 -0.146 1.00 0.00 C ATOM 0 H LEU A 42 106.613 -11.776 0.485 1.00 0.00 H new ATOM 0 HA LEU A 42 105.548 -12.635 -2.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 104.125 -11.490 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 42 103.379 -12.446 -0.856 1.00 0.00 H new ATOM 0 HG LEU A 42 105.783 -13.747 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 42 104.715 -14.331 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 42 104.991 -12.577 2.310 1.00 0.00 H new ATOM 0 HD13 LEU A 42 103.360 -13.240 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 42 104.208 -15.659 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 42 102.854 -14.564 0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 42 104.125 -14.848 -1.211 1.00 0.00 H new ATOM 655 N LEU A 43 105.276 -9.445 -1.284 1.00 0.00 N ATOM 656 CA LEU A 43 104.923 -8.124 -1.878 1.00 0.00 C ATOM 657 C LEU A 43 105.710 -7.932 -3.173 1.00 0.00 C ATOM 658 O LEU A 43 105.311 -7.202 -4.058 1.00 0.00 O ATOM 659 CB LEU A 43 105.291 -7.007 -0.893 1.00 0.00 C ATOM 660 CG LEU A 43 104.139 -6.752 0.085 1.00 0.00 C ATOM 661 CD1 LEU A 43 102.999 -6.040 -0.642 1.00 0.00 C ATOM 662 CD2 LEU A 43 103.636 -8.082 0.656 1.00 0.00 C ATOM 0 H LEU A 43 105.703 -9.403 -0.358 1.00 0.00 H new ATOM 0 HA LEU A 43 103.854 -8.089 -2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 43 106.190 -7.282 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 43 105.520 -6.093 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 43 104.495 -6.125 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 43 102.180 -5.859 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 43 103.357 -5.089 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 43 102.646 -6.663 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 43 102.817 -7.893 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 43 103.283 -8.717 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 43 104.449 -8.583 1.181 1.00 0.00 H new ATOM 674 N TYR A 44 106.830 -8.584 -3.283 1.00 0.00 N ATOM 675 CA TYR A 44 107.664 -8.454 -4.509 1.00 0.00 C ATOM 676 C TYR A 44 106.960 -9.139 -5.683 1.00 0.00 C ATOM 677 O TYR A 44 106.516 -8.498 -6.615 1.00 0.00 O ATOM 678 CB TYR A 44 109.006 -9.136 -4.252 1.00 0.00 C ATOM 679 CG TYR A 44 110.082 -8.511 -5.104 1.00 0.00 C ATOM 680 CD1 TYR A 44 110.120 -8.760 -6.481 1.00 0.00 C ATOM 681 CD2 TYR A 44 111.064 -7.711 -4.511 1.00 0.00 C ATOM 682 CE1 TYR A 44 111.133 -8.202 -7.266 1.00 0.00 C ATOM 683 CE2 TYR A 44 112.085 -7.161 -5.293 1.00 0.00 C ATOM 684 CZ TYR A 44 112.118 -7.404 -6.674 1.00 0.00 C ATOM 685 OH TYR A 44 113.122 -6.859 -7.451 1.00 0.00 O ATOM 0 H TYR A 44 107.208 -9.208 -2.570 1.00 0.00 H new ATOM 0 HA TYR A 44 107.816 -7.402 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 44 109.270 -9.048 -3.198 1.00 0.00 H new ATOM 0 HB3 TYR A 44 108.929 -10.200 -4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 44 109.366 -9.384 -6.937 1.00 0.00 H new ATOM 0 HD2 TYR A 44 111.034 -7.518 -3.449 1.00 0.00 H new ATOM 0 HE1 TYR A 44 111.155 -8.387 -8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 44 112.848 -6.550 -4.834 1.00 0.00 H new ATOM 0 HH TYR A 44 113.192 -5.899 -7.269 1.00 0.00 H new ATOM 695 N LYS A 45 106.862 -10.439 -5.646 1.00 0.00 N ATOM 696 CA LYS A 45 106.197 -11.174 -6.759 1.00 0.00 C ATOM 697 C LYS A 45 104.700 -10.851 -6.783 1.00 0.00 C ATOM 698 O LYS A 45 104.007 -11.170 -7.728 1.00 0.00 O ATOM 699 CB LYS A 45 106.388 -12.678 -6.557 1.00 0.00 C ATOM 700 CG LYS A 45 107.831 -13.060 -6.889 1.00 0.00 C ATOM 701 CD LYS A 45 107.897 -13.614 -8.313 1.00 0.00 C ATOM 702 CE LYS A 45 109.337 -14.016 -8.638 1.00 0.00 C ATOM 703 NZ LYS A 45 109.795 -13.282 -9.852 1.00 0.00 N ATOM 0 H LYS A 45 107.215 -11.026 -4.890 1.00 0.00 H new ATOM 0 HA LYS A 45 106.643 -10.868 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 106.157 -12.949 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 45 105.699 -13.231 -7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 45 108.480 -12.189 -6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 45 108.194 -13.805 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 45 107.237 -14.476 -8.410 1.00 0.00 H new ATOM 0 HD3 LYS A 45 107.549 -12.864 -9.023 1.00 0.00 H new ATOM 0 HE2 LYS A 45 109.989 -13.788 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 45 109.397 -15.091 -8.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 110.774 -13.555 -10.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 109.179 -13.521 -10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 109.752 -12.258 -9.675 1.00 0.00 H new ATOM 717 N LYS A 46 104.191 -10.221 -5.758 1.00 0.00 N ATOM 718 CA LYS A 46 102.737 -9.888 -5.747 1.00 0.00 C ATOM 719 C LYS A 46 102.542 -8.501 -6.354 1.00 0.00 C ATOM 720 O LYS A 46 102.050 -8.355 -7.454 1.00 0.00 O ATOM 721 CB LYS A 46 102.208 -9.904 -4.313 1.00 0.00 C ATOM 722 CG LYS A 46 102.036 -11.354 -3.853 1.00 0.00 C ATOM 723 CD LYS A 46 101.181 -11.395 -2.586 1.00 0.00 C ATOM 724 CE LYS A 46 100.115 -12.482 -2.728 1.00 0.00 C ATOM 725 NZ LYS A 46 100.616 -13.751 -2.128 1.00 0.00 N ATOM 0 H LYS A 46 104.714 -9.925 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 46 102.188 -10.627 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 46 102.899 -9.380 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 46 101.255 -9.378 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 46 101.565 -11.942 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 46 103.011 -11.803 -3.660 1.00 0.00 H new ATOM 0 HD2 LYS A 46 101.808 -11.596 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 46 100.709 -10.426 -2.421 1.00 0.00 H new ATOM 0 HE2 LYS A 46 99.195 -12.171 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 46 99.874 -12.635 -3.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 99.891 -14.491 -2.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 101.482 -14.049 -2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 100.825 -13.600 -1.120 1.00 0.00 H new ATOM 739 N ILE A 47 102.945 -7.481 -5.649 1.00 0.00 N ATOM 740 CA ILE A 47 102.804 -6.103 -6.188 1.00 0.00 C ATOM 741 C ILE A 47 103.325 -6.080 -7.630 1.00 0.00 C ATOM 742 O ILE A 47 102.958 -5.235 -8.420 1.00 0.00 O ATOM 743 CB ILE A 47 103.642 -5.147 -5.344 1.00 0.00 C ATOM 744 CG1 ILE A 47 103.068 -5.084 -3.910 1.00 0.00 C ATOM 745 CG2 ILE A 47 103.658 -3.764 -6.005 1.00 0.00 C ATOM 746 CD1 ILE A 47 102.124 -3.888 -3.738 1.00 0.00 C ATOM 0 H ILE A 47 103.366 -7.544 -4.722 1.00 0.00 H new ATOM 0 HA ILE A 47 101.758 -5.799 -6.162 1.00 0.00 H new ATOM 0 HB ILE A 47 104.670 -5.504 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE A 47 102.532 -6.007 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 47 103.885 -5.011 -3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 47 104.256 -3.080 -5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.090 -3.842 -7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.639 -3.385 -6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 47 101.738 -3.873 -2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 47 102.668 -2.964 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.294 -3.976 -4.439 1.00 0.00 H new ATOM 758 N MET A 48 104.191 -6.998 -7.968 1.00 0.00 N ATOM 759 CA MET A 48 104.754 -7.035 -9.347 1.00 0.00 C ATOM 760 C MET A 48 103.648 -6.772 -10.372 1.00 0.00 C ATOM 761 O MET A 48 103.437 -5.654 -10.798 1.00 0.00 O ATOM 762 CB MET A 48 105.374 -8.410 -9.603 1.00 0.00 C ATOM 763 CG MET A 48 105.866 -8.487 -11.049 1.00 0.00 C ATOM 764 SD MET A 48 106.984 -9.898 -11.232 1.00 0.00 S ATOM 765 CE MET A 48 108.434 -9.139 -10.459 1.00 0.00 C ATOM 0 H MET A 48 104.534 -7.728 -7.343 1.00 0.00 H new ATOM 0 HA MET A 48 105.518 -6.264 -9.444 1.00 0.00 H new ATOM 0 HB2 MET A 48 106.203 -8.580 -8.916 1.00 0.00 H new ATOM 0 HB3 MET A 48 104.639 -9.193 -9.416 1.00 0.00 H new ATOM 0 HG2 MET A 48 105.019 -8.590 -11.727 1.00 0.00 H new ATOM 0 HG3 MET A 48 106.380 -7.565 -11.319 1.00 0.00 H new ATOM 0 HE1 MET A 48 109.243 -9.076 -11.187 1.00 0.00 H new ATOM 0 HE2 MET A 48 108.179 -8.138 -10.112 1.00 0.00 H new ATOM 0 HE3 MET A 48 108.755 -9.746 -9.612 1.00 0.00 H new ATOM 775 N GLU A 49 102.947 -7.794 -10.777 1.00 0.00 N ATOM 776 CA GLU A 49 101.862 -7.604 -11.783 1.00 0.00 C ATOM 777 C GLU A 49 100.704 -6.830 -11.152 1.00 0.00 C ATOM 778 O GLU A 49 99.981 -6.120 -11.821 1.00 0.00 O ATOM 779 CB GLU A 49 101.362 -8.970 -12.257 1.00 0.00 C ATOM 780 CG GLU A 49 101.006 -8.895 -13.743 1.00 0.00 C ATOM 781 CD GLU A 49 102.258 -9.155 -14.583 1.00 0.00 C ATOM 782 OE1 GLU A 49 103.066 -9.970 -14.169 1.00 0.00 O ATOM 783 OE2 GLU A 49 102.386 -8.536 -15.626 1.00 0.00 O ATOM 0 H GLU A 49 103.078 -8.753 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 49 102.252 -7.042 -12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 49 102.129 -9.727 -12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 49 100.489 -9.271 -11.678 1.00 0.00 H new ATOM 0 HG2 GLU A 49 100.237 -9.630 -13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 49 100.594 -7.914 -13.980 1.00 0.00 H new ATOM 790 N LYS A 50 100.519 -6.964 -9.869 1.00 0.00 N ATOM 791 CA LYS A 50 99.407 -6.239 -9.194 1.00 0.00 C ATOM 792 C LYS A 50 99.393 -4.776 -9.646 1.00 0.00 C ATOM 793 O LYS A 50 98.347 -4.187 -9.839 1.00 0.00 O ATOM 794 CB LYS A 50 99.607 -6.301 -7.682 1.00 0.00 C ATOM 795 CG LYS A 50 98.323 -5.864 -6.980 1.00 0.00 C ATOM 796 CD LYS A 50 97.595 -7.089 -6.420 1.00 0.00 C ATOM 797 CE LYS A 50 98.552 -7.898 -5.543 1.00 0.00 C ATOM 798 NZ LYS A 50 99.061 -9.068 -6.312 1.00 0.00 N ATOM 0 H LYS A 50 101.091 -7.546 -9.257 1.00 0.00 H new ATOM 0 HA LYS A 50 98.458 -6.706 -9.458 1.00 0.00 H new ATOM 0 HB2 LYS A 50 99.872 -7.315 -7.381 1.00 0.00 H new ATOM 0 HB3 LYS A 50 100.433 -5.654 -7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 50 98.557 -5.169 -6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 50 97.677 -5.334 -7.680 1.00 0.00 H new ATOM 0 HD2 LYS A 50 96.729 -6.775 -5.837 1.00 0.00 H new ATOM 0 HD3 LYS A 50 97.223 -7.708 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.384 -7.272 -5.220 1.00 0.00 H new ATOM 0 HE3 LYS A 50 98.039 -8.236 -4.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.477 -9.902 -6.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 99.015 -8.861 -7.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.047 -9.259 -6.042 1.00 0.00 H new ATOM 812 N TYR A 51 100.543 -4.184 -9.811 1.00 0.00 N ATOM 813 CA TYR A 51 100.590 -2.758 -10.242 1.00 0.00 C ATOM 814 C TYR A 51 101.723 -2.560 -11.251 1.00 0.00 C ATOM 815 O TYR A 51 102.151 -1.451 -11.499 1.00 0.00 O ATOM 816 CB TYR A 51 100.846 -1.869 -9.025 1.00 0.00 C ATOM 817 CG TYR A 51 99.657 -1.919 -8.098 1.00 0.00 C ATOM 818 CD1 TYR A 51 98.569 -1.064 -8.311 1.00 0.00 C ATOM 819 CD2 TYR A 51 99.641 -2.818 -7.024 1.00 0.00 C ATOM 820 CE1 TYR A 51 97.467 -1.106 -7.455 1.00 0.00 C ATOM 821 CE2 TYR A 51 98.538 -2.858 -6.165 1.00 0.00 C ATOM 822 CZ TYR A 51 97.450 -2.002 -6.379 1.00 0.00 C ATOM 823 OH TYR A 51 96.361 -2.043 -5.533 1.00 0.00 O ATOM 0 H TYR A 51 101.451 -4.625 -9.666 1.00 0.00 H new ATOM 0 HA TYR A 51 99.639 -2.491 -10.704 1.00 0.00 H new ATOM 0 HB2 TYR A 51 101.742 -2.203 -8.501 1.00 0.00 H new ATOM 0 HB3 TYR A 51 101.027 -0.843 -9.344 1.00 0.00 H new ATOM 0 HD1 TYR A 51 98.582 -0.371 -9.139 1.00 0.00 H new ATOM 0 HD2 TYR A 51 100.479 -3.479 -6.859 1.00 0.00 H new ATOM 0 HE1 TYR A 51 96.628 -0.447 -7.623 1.00 0.00 H new ATOM 0 HE2 TYR A 51 98.525 -3.550 -5.336 1.00 0.00 H new ATOM 0 HH TYR A 51 96.510 -2.720 -4.840 1.00 0.00 H new ATOM 833 N SER A 52 102.219 -3.620 -11.828 1.00 0.00 N ATOM 834 CA SER A 52 103.333 -3.471 -12.812 1.00 0.00 C ATOM 835 C SER A 52 104.371 -2.506 -12.235 1.00 0.00 C ATOM 836 O SER A 52 104.852 -1.612 -12.904 1.00 0.00 O ATOM 837 CB SER A 52 102.785 -2.913 -14.125 1.00 0.00 C ATOM 838 OG SER A 52 101.686 -3.708 -14.550 1.00 0.00 O ATOM 0 H SER A 52 101.905 -4.577 -11.664 1.00 0.00 H new ATOM 0 HA SER A 52 103.794 -4.440 -13.003 1.00 0.00 H new ATOM 0 HB2 SER A 52 102.470 -1.878 -13.991 1.00 0.00 H new ATOM 0 HB3 SER A 52 103.565 -2.912 -14.887 1.00 0.00 H new ATOM 0 HG SER A 52 101.331 -3.352 -15.391 1.00 0.00 H new ATOM 844 N VAL A 53 104.701 -2.680 -10.986 1.00 0.00 N ATOM 845 CA VAL A 53 105.690 -1.784 -10.319 1.00 0.00 C ATOM 846 C VAL A 53 106.825 -1.405 -11.268 1.00 0.00 C ATOM 847 O VAL A 53 107.404 -2.242 -11.933 1.00 0.00 O ATOM 848 CB VAL A 53 106.287 -2.504 -9.111 1.00 0.00 C ATOM 849 CG1 VAL A 53 105.386 -2.303 -7.897 1.00 0.00 C ATOM 850 CG2 VAL A 53 106.399 -3.999 -9.415 1.00 0.00 C ATOM 0 H VAL A 53 104.322 -3.416 -10.389 1.00 0.00 H new ATOM 0 HA VAL A 53 105.171 -0.876 -10.013 1.00 0.00 H new ATOM 0 HB VAL A 53 107.276 -2.097 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.814 -2.818 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.302 -1.238 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 53 104.397 -2.709 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 53 106.825 -4.514 -8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 53 105.409 -4.403 -9.626 1.00 0.00 H new ATOM 0 HG23 VAL A 53 107.043 -4.147 -10.282 1.00 0.00 H new ATOM 860 N THR A 54 107.175 -0.147 -11.299 1.00 0.00 N ATOM 861 CA THR A 54 108.302 0.292 -12.162 1.00 0.00 C ATOM 862 C THR A 54 109.595 -0.139 -11.473 1.00 0.00 C ATOM 863 O THR A 54 110.605 -0.390 -12.101 1.00 0.00 O ATOM 864 CB THR A 54 108.279 1.816 -12.307 1.00 0.00 C ATOM 865 OG1 THR A 54 107.221 2.192 -13.178 1.00 0.00 O ATOM 866 CG2 THR A 54 109.611 2.296 -12.880 1.00 0.00 C ATOM 0 H THR A 54 106.726 0.595 -10.762 1.00 0.00 H new ATOM 0 HA THR A 54 108.225 -0.151 -13.155 1.00 0.00 H new ATOM 0 HB THR A 54 108.123 2.272 -11.329 1.00 0.00 H new ATOM 0 HG1 THR A 54 107.204 3.168 -13.270 1.00 0.00 H new ATOM 0 HG21 THR A 54 109.593 3.381 -12.983 1.00 0.00 H new ATOM 0 HG22 THR A 54 110.420 2.008 -12.209 1.00 0.00 H new ATOM 0 HG23 THR A 54 109.771 1.842 -13.858 1.00 0.00 H new ATOM 874 N PHE A 55 109.547 -0.243 -10.172 1.00 0.00 N ATOM 875 CA PHE A 55 110.739 -0.676 -9.394 1.00 0.00 C ATOM 876 C PHE A 55 110.259 -1.425 -8.151 1.00 0.00 C ATOM 877 O PHE A 55 109.520 -0.894 -7.343 1.00 0.00 O ATOM 878 CB PHE A 55 111.562 0.540 -8.961 1.00 0.00 C ATOM 879 CG PHE A 55 112.733 0.078 -8.121 1.00 0.00 C ATOM 880 CD1 PHE A 55 113.704 -0.765 -8.677 1.00 0.00 C ATOM 881 CD2 PHE A 55 112.849 0.490 -6.785 1.00 0.00 C ATOM 882 CE1 PHE A 55 114.787 -1.193 -7.902 1.00 0.00 C ATOM 883 CE2 PHE A 55 113.934 0.061 -6.012 1.00 0.00 C ATOM 884 CZ PHE A 55 114.903 -0.779 -6.572 1.00 0.00 C ATOM 0 H PHE A 55 108.720 -0.043 -9.610 1.00 0.00 H new ATOM 0 HA PHE A 55 111.363 -1.320 -10.014 1.00 0.00 H new ATOM 0 HB2 PHE A 55 111.919 1.082 -9.837 1.00 0.00 H new ATOM 0 HB3 PHE A 55 110.940 1.230 -8.391 1.00 0.00 H new ATOM 0 HD1 PHE A 55 113.616 -1.085 -9.705 1.00 0.00 H new ATOM 0 HD2 PHE A 55 112.101 1.138 -6.353 1.00 0.00 H new ATOM 0 HE1 PHE A 55 115.534 -1.844 -8.332 1.00 0.00 H new ATOM 0 HE2 PHE A 55 114.023 0.378 -4.984 1.00 0.00 H new ATOM 0 HZ PHE A 55 115.741 -1.108 -5.976 1.00 0.00 H new ATOM 894 N ILE A 56 110.681 -2.649 -7.990 1.00 0.00 N ATOM 895 CA ILE A 56 110.268 -3.437 -6.799 1.00 0.00 C ATOM 896 C ILE A 56 111.536 -3.993 -6.151 1.00 0.00 C ATOM 897 O ILE A 56 112.175 -4.871 -6.682 1.00 0.00 O ATOM 898 CB ILE A 56 109.316 -4.573 -7.228 1.00 0.00 C ATOM 899 CG1 ILE A 56 109.284 -5.673 -6.164 1.00 0.00 C ATOM 900 CG2 ILE A 56 109.776 -5.188 -8.555 1.00 0.00 C ATOM 901 CD1 ILE A 56 109.002 -5.075 -4.786 1.00 0.00 C ATOM 0 H ILE A 56 111.298 -3.139 -8.638 1.00 0.00 H new ATOM 0 HA ILE A 56 109.732 -2.814 -6.083 1.00 0.00 H new ATOM 0 HB ILE A 56 108.320 -4.147 -7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 56 108.517 -6.406 -6.413 1.00 0.00 H new ATOM 0 HG13 ILE A 56 110.237 -6.202 -6.150 1.00 0.00 H new ATOM 0 HG21 ILE A 56 109.093 -5.987 -8.842 1.00 0.00 H new ATOM 0 HG22 ILE A 56 109.782 -4.421 -9.329 1.00 0.00 H new ATOM 0 HG23 ILE A 56 110.781 -5.594 -8.439 1.00 0.00 H new ATOM 0 HD11 ILE A 56 108.983 -5.871 -4.041 1.00 0.00 H new ATOM 0 HD12 ILE A 56 109.785 -4.360 -4.533 1.00 0.00 H new ATOM 0 HD13 ILE A 56 108.037 -4.568 -4.800 1.00 0.00 H new ATOM 913 N SER A 57 111.936 -3.459 -5.027 1.00 0.00 N ATOM 914 CA SER A 57 113.195 -3.948 -4.391 1.00 0.00 C ATOM 915 C SER A 57 112.989 -4.212 -2.898 1.00 0.00 C ATOM 916 O SER A 57 111.997 -3.823 -2.312 1.00 0.00 O ATOM 917 CB SER A 57 114.289 -2.897 -4.562 1.00 0.00 C ATOM 918 OG SER A 57 113.818 -1.641 -4.093 1.00 0.00 O ATOM 0 H SER A 57 111.452 -2.714 -4.526 1.00 0.00 H new ATOM 0 HA SER A 57 113.484 -4.881 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 57 115.181 -3.192 -4.009 1.00 0.00 H new ATOM 0 HB3 SER A 57 114.575 -2.821 -5.611 1.00 0.00 H new ATOM 0 HG SER A 57 113.532 -1.094 -4.854 1.00 0.00 H new ATOM 924 N ARG A 58 113.943 -4.859 -2.281 1.00 0.00 N ATOM 925 CA ARG A 58 113.852 -5.148 -0.823 1.00 0.00 C ATOM 926 C ARG A 58 115.223 -4.903 -0.192 1.00 0.00 C ATOM 927 O ARG A 58 116.236 -5.338 -0.707 1.00 0.00 O ATOM 928 CB ARG A 58 113.456 -6.609 -0.600 1.00 0.00 C ATOM 929 CG ARG A 58 112.555 -7.084 -1.740 1.00 0.00 C ATOM 930 CD ARG A 58 111.900 -8.409 -1.345 1.00 0.00 C ATOM 931 NE ARG A 58 112.958 -9.413 -1.044 1.00 0.00 N ATOM 932 CZ ARG A 58 112.753 -10.322 -0.132 1.00 0.00 C ATOM 933 NH1 ARG A 58 112.321 -9.974 1.050 1.00 0.00 N ATOM 934 NH2 ARG A 58 112.981 -11.579 -0.401 1.00 0.00 N ATOM 0 H ARG A 58 114.791 -5.203 -2.733 1.00 0.00 H new ATOM 0 HA ARG A 58 113.100 -4.502 -0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 58 114.348 -7.233 -0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 58 112.937 -6.713 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 58 111.791 -6.336 -1.952 1.00 0.00 H new ATOM 0 HG3 ARG A 58 113.138 -7.211 -2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 58 111.261 -8.266 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 58 111.262 -8.767 -2.153 1.00 0.00 H new ATOM 0 HE ARG A 58 113.843 -9.390 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 58 112.144 -8.992 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 58 112.160 -10.685 1.764 1.00 0.00 H new ATOM 0 HH21 ARG A 58 113.319 -11.850 -1.324 1.00 0.00 H new ATOM 0 HH22 ARG A 58 112.821 -12.290 0.312 1.00 0.00 H new ATOM 948 N HIS A 59 115.268 -4.208 0.911 1.00 0.00 N ATOM 949 CA HIS A 59 116.583 -3.937 1.559 1.00 0.00 C ATOM 950 C HIS A 59 116.480 -4.178 3.066 1.00 0.00 C ATOM 951 O HIS A 59 115.402 -4.264 3.621 1.00 0.00 O ATOM 952 CB HIS A 59 116.983 -2.482 1.304 1.00 0.00 C ATOM 953 CG HIS A 59 116.917 -2.195 -0.172 1.00 0.00 C ATOM 954 ND1 HIS A 59 118.056 -2.038 -0.945 1.00 0.00 N ATOM 955 CD2 HIS A 59 115.857 -2.031 -1.030 1.00 0.00 C ATOM 956 CE1 HIS A 59 117.660 -1.791 -2.207 1.00 0.00 C ATOM 957 NE2 HIS A 59 116.329 -1.776 -2.314 1.00 0.00 N ATOM 0 H HIS A 59 114.456 -3.818 1.390 1.00 0.00 H new ATOM 0 HA HIS A 59 117.335 -4.605 1.139 1.00 0.00 H new ATOM 0 HB2 HIS A 59 116.317 -1.810 1.846 1.00 0.00 H new ATOM 0 HB3 HIS A 59 117.991 -2.300 1.676 1.00 0.00 H new ATOM 0 HD2 HIS A 59 114.815 -2.091 -0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 59 118.336 -1.625 -3.033 1.00 0.00 H new ATOM 0 HE2 HIS A 59 115.777 -1.613 -3.156 1.00 0.00 H new ATOM 965 N ASN A 60 117.597 -4.286 3.733 1.00 0.00 N ATOM 966 CA ASN A 60 117.570 -4.518 5.204 1.00 0.00 C ATOM 967 C ASN A 60 117.709 -3.177 5.926 1.00 0.00 C ATOM 968 O ASN A 60 118.711 -2.499 5.807 1.00 0.00 O ATOM 969 CB ASN A 60 118.730 -5.435 5.599 1.00 0.00 C ATOM 970 CG ASN A 60 118.864 -6.561 4.572 1.00 0.00 C ATOM 971 OD1 ASN A 60 119.236 -6.323 3.439 1.00 0.00 O ATOM 972 ND2 ASN A 60 118.576 -7.784 4.921 1.00 0.00 N ATOM 0 H ASN A 60 118.528 -4.223 3.321 1.00 0.00 H new ATOM 0 HA ASN A 60 116.628 -4.989 5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 60 119.657 -4.864 5.651 1.00 0.00 H new ATOM 0 HB3 ASN A 60 118.556 -5.852 6.591 1.00 0.00 H new ATOM 0 HD21 ASN A 60 118.663 -8.542 4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 60 118.264 -7.983 5.871 1.00 0.00 H new ATOM 979 N SER A 61 116.709 -2.785 6.669 1.00 0.00 N ATOM 980 CA SER A 61 116.782 -1.484 7.390 1.00 0.00 C ATOM 981 C SER A 61 117.220 -1.715 8.835 1.00 0.00 C ATOM 982 O SER A 61 118.390 -1.654 9.157 1.00 0.00 O ATOM 983 CB SER A 61 115.406 -0.818 7.379 1.00 0.00 C ATOM 984 OG SER A 61 114.398 -1.820 7.353 1.00 0.00 O ATOM 0 H SER A 61 115.846 -3.310 6.807 1.00 0.00 H new ATOM 0 HA SER A 61 117.507 -0.839 6.893 1.00 0.00 H new ATOM 0 HB2 SER A 61 115.287 -0.189 8.261 1.00 0.00 H new ATOM 0 HB3 SER A 61 115.311 -0.168 6.509 1.00 0.00 H new ATOM 0 HG SER A 61 113.660 -1.557 7.941 1.00 0.00 H new ATOM 990 N TYR A 62 116.291 -1.968 9.715 1.00 0.00 N ATOM 991 CA TYR A 62 116.661 -2.186 11.139 1.00 0.00 C ATOM 992 C TYR A 62 116.338 -3.626 11.550 1.00 0.00 C ATOM 993 O TYR A 62 117.152 -4.517 11.412 1.00 0.00 O ATOM 994 CB TYR A 62 115.875 -1.213 12.020 1.00 0.00 C ATOM 995 CG TYR A 62 116.563 0.133 12.017 1.00 0.00 C ATOM 996 CD1 TYR A 62 116.873 0.762 10.806 1.00 0.00 C ATOM 997 CD2 TYR A 62 116.894 0.750 13.229 1.00 0.00 C ATOM 998 CE1 TYR A 62 117.512 2.004 10.805 1.00 0.00 C ATOM 999 CE2 TYR A 62 117.536 1.993 13.228 1.00 0.00 C ATOM 1000 CZ TYR A 62 117.845 2.620 12.017 1.00 0.00 C ATOM 1001 OH TYR A 62 118.480 3.845 12.017 1.00 0.00 O ATOM 0 H TYR A 62 115.294 -2.033 9.509 1.00 0.00 H new ATOM 0 HA TYR A 62 117.730 -2.013 11.263 1.00 0.00 H new ATOM 0 HB2 TYR A 62 114.854 -1.113 11.650 1.00 0.00 H new ATOM 0 HB3 TYR A 62 115.809 -1.598 13.038 1.00 0.00 H new ATOM 0 HD1 TYR A 62 116.618 0.286 9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 62 116.654 0.267 14.165 1.00 0.00 H new ATOM 0 HE1 TYR A 62 117.749 2.489 9.870 1.00 0.00 H new ATOM 0 HE2 TYR A 62 117.793 2.468 14.163 1.00 0.00 H new ATOM 0 HH TYR A 62 118.638 4.132 12.941 1.00 0.00 H new ATOM 1011 N ASN A 63 115.162 -3.859 12.067 1.00 0.00 N ATOM 1012 CA ASN A 63 114.800 -5.239 12.501 1.00 0.00 C ATOM 1013 C ASN A 63 113.962 -5.928 11.421 1.00 0.00 C ATOM 1014 O ASN A 63 113.473 -7.024 11.613 1.00 0.00 O ATOM 1015 CB ASN A 63 113.995 -5.166 13.801 1.00 0.00 C ATOM 1016 CG ASN A 63 114.692 -4.220 14.783 1.00 0.00 C ATOM 1017 OD1 ASN A 63 115.630 -3.536 14.426 1.00 0.00 O ATOM 1018 ND2 ASN A 63 114.268 -4.150 16.015 1.00 0.00 N ATOM 0 H ASN A 63 114.437 -3.155 12.207 1.00 0.00 H new ATOM 0 HA ASN A 63 115.712 -5.813 12.663 1.00 0.00 H new ATOM 0 HB2 ASN A 63 112.984 -4.813 13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 63 113.903 -6.159 14.240 1.00 0.00 H new ATOM 0 HD21 ASN A 63 114.724 -3.522 16.676 1.00 0.00 H new ATOM 0 HD22 ASN A 63 113.480 -4.724 16.317 1.00 0.00 H new ATOM 1025 N HIS A 64 113.786 -5.304 10.288 1.00 0.00 N ATOM 1026 CA HIS A 64 112.974 -5.944 9.213 1.00 0.00 C ATOM 1027 C HIS A 64 113.478 -5.491 7.842 1.00 0.00 C ATOM 1028 O HIS A 64 114.595 -5.032 7.703 1.00 0.00 O ATOM 1029 CB HIS A 64 111.507 -5.554 9.388 1.00 0.00 C ATOM 1030 CG HIS A 64 111.011 -6.087 10.701 1.00 0.00 C ATOM 1031 ND1 HIS A 64 110.544 -5.259 11.706 1.00 0.00 N ATOM 1032 CD2 HIS A 64 110.909 -7.365 11.191 1.00 0.00 C ATOM 1033 CE1 HIS A 64 110.187 -6.041 12.741 1.00 0.00 C ATOM 1034 NE2 HIS A 64 110.389 -7.333 12.480 1.00 0.00 N ATOM 0 H HIS A 64 114.166 -4.385 10.061 1.00 0.00 H new ATOM 0 HA HIS A 64 113.069 -7.028 9.281 1.00 0.00 H new ATOM 0 HB2 HIS A 64 111.400 -4.470 9.358 1.00 0.00 H new ATOM 0 HB3 HIS A 64 110.911 -5.956 8.569 1.00 0.00 H new ATOM 0 HD2 HIS A 64 111.190 -8.260 10.656 1.00 0.00 H new ATOM 0 HE1 HIS A 64 109.785 -5.667 13.671 1.00 0.00 H new ATOM 0 HE2 HIS A 64 110.202 -8.126 13.093 1.00 0.00 H new ATOM 1042 N ASN A 65 112.673 -5.627 6.824 1.00 0.00 N ATOM 1043 CA ASN A 65 113.120 -5.214 5.466 1.00 0.00 C ATOM 1044 C ASN A 65 112.071 -4.303 4.824 1.00 0.00 C ATOM 1045 O ASN A 65 110.887 -4.425 5.073 1.00 0.00 O ATOM 1046 CB ASN A 65 113.305 -6.459 4.600 1.00 0.00 C ATOM 1047 CG ASN A 65 114.479 -7.275 5.137 1.00 0.00 C ATOM 1048 OD1 ASN A 65 115.059 -6.935 6.150 1.00 0.00 O ATOM 1049 ND2 ASN A 65 114.857 -8.344 4.497 1.00 0.00 N ATOM 0 H ASN A 65 111.727 -6.006 6.875 1.00 0.00 H new ATOM 0 HA ASN A 65 114.062 -4.672 5.546 1.00 0.00 H new ATOM 0 HB2 ASN A 65 112.396 -7.060 4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 65 113.489 -6.172 3.565 1.00 0.00 H new ATOM 0 HD21 ASN A 65 115.640 -8.897 4.845 1.00 0.00 H new ATOM 0 HD22 ASN A 65 114.370 -8.629 3.647 1.00 0.00 H new ATOM 1056 N ILE A 66 112.500 -3.396 3.990 1.00 0.00 N ATOM 1057 CA ILE A 66 111.535 -2.481 3.319 1.00 0.00 C ATOM 1058 C ILE A 66 111.325 -2.955 1.880 1.00 0.00 C ATOM 1059 O ILE A 66 112.121 -3.699 1.340 1.00 0.00 O ATOM 1060 CB ILE A 66 112.096 -1.055 3.321 1.00 0.00 C ATOM 1061 CG1 ILE A 66 111.923 -0.444 4.712 1.00 0.00 C ATOM 1062 CG2 ILE A 66 111.346 -0.199 2.296 1.00 0.00 C ATOM 1063 CD1 ILE A 66 113.253 -0.501 5.464 1.00 0.00 C ATOM 0 H ILE A 66 113.479 -3.249 3.744 1.00 0.00 H new ATOM 0 HA ILE A 66 110.583 -2.488 3.850 1.00 0.00 H new ATOM 0 HB ILE A 66 113.154 -1.085 3.060 1.00 0.00 H new ATOM 0 HG12 ILE A 66 111.585 0.589 4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 66 111.156 -0.986 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 66 111.750 0.813 2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 111.467 -0.631 1.303 1.00 0.00 H new ATOM 0 HG23 ILE A 66 110.287 -0.169 2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 66 113.129 -0.065 6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 66 113.572 -1.539 5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 66 114.007 0.060 4.913 1.00 0.00 H new ATOM 1075 N LEU A 67 110.261 -2.532 1.253 1.00 0.00 N ATOM 1076 CA LEU A 67 110.009 -2.965 -0.149 1.00 0.00 C ATOM 1077 C LEU A 67 109.562 -1.765 -0.987 1.00 0.00 C ATOM 1078 O LEU A 67 108.438 -1.314 -0.888 1.00 0.00 O ATOM 1079 CB LEU A 67 108.908 -4.030 -0.163 1.00 0.00 C ATOM 1080 CG LEU A 67 108.800 -4.639 -1.563 1.00 0.00 C ATOM 1081 CD1 LEU A 67 109.011 -6.151 -1.481 1.00 0.00 C ATOM 1082 CD2 LEU A 67 107.412 -4.359 -2.142 1.00 0.00 C ATOM 0 H LEU A 67 109.559 -1.908 1.650 1.00 0.00 H new ATOM 0 HA LEU A 67 110.926 -3.379 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 67 109.132 -4.808 0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 67 107.955 -3.586 0.126 1.00 0.00 H new ATOM 0 HG LEU A 67 109.561 -4.195 -2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 67 108.934 -6.584 -2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 67 109.999 -6.359 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 67 108.250 -6.590 -0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 67 107.339 -4.794 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 67 106.653 -4.801 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 67 107.254 -3.282 -2.204 1.00 0.00 H new ATOM 1094 N PHE A 68 110.424 -1.253 -1.825 1.00 0.00 N ATOM 1095 CA PHE A 68 110.025 -0.095 -2.673 1.00 0.00 C ATOM 1096 C PHE A 68 109.210 -0.611 -3.846 1.00 0.00 C ATOM 1097 O PHE A 68 109.658 -1.462 -4.581 1.00 0.00 O ATOM 1098 CB PHE A 68 111.255 0.601 -3.256 1.00 0.00 C ATOM 1099 CG PHE A 68 112.146 1.126 -2.166 1.00 0.00 C ATOM 1100 CD1 PHE A 68 111.640 1.980 -1.180 1.00 0.00 C ATOM 1101 CD2 PHE A 68 113.495 0.770 -2.163 1.00 0.00 C ATOM 1102 CE1 PHE A 68 112.491 2.474 -0.186 1.00 0.00 C ATOM 1103 CE2 PHE A 68 114.343 1.261 -1.176 1.00 0.00 C ATOM 1104 CZ PHE A 68 113.845 2.115 -0.185 1.00 0.00 C ATOM 0 H PHE A 68 111.380 -1.584 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 68 109.460 0.603 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 68 111.811 -0.099 -3.880 1.00 0.00 H new ATOM 0 HB3 PHE A 68 110.941 1.422 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 68 110.596 2.257 -1.186 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.881 0.113 -2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 68 112.105 3.131 0.579 1.00 0.00 H new ATOM 0 HE2 PHE A 68 115.387 0.983 -1.174 1.00 0.00 H new ATOM 0 HZ PHE A 68 114.505 2.497 0.580 1.00 0.00 H new ATOM 1114 N PHE A 69 108.039 -0.099 -4.056 1.00 0.00 N ATOM 1115 CA PHE A 69 107.253 -0.575 -5.219 1.00 0.00 C ATOM 1116 C PHE A 69 106.456 0.588 -5.804 1.00 0.00 C ATOM 1117 O PHE A 69 105.472 1.041 -5.251 1.00 0.00 O ATOM 1118 CB PHE A 69 106.352 -1.747 -4.807 1.00 0.00 C ATOM 1119 CG PHE A 69 105.058 -1.280 -4.186 1.00 0.00 C ATOM 1120 CD1 PHE A 69 103.940 -1.037 -4.993 1.00 0.00 C ATOM 1121 CD2 PHE A 69 104.962 -1.136 -2.799 1.00 0.00 C ATOM 1122 CE1 PHE A 69 102.729 -0.652 -4.413 1.00 0.00 C ATOM 1123 CE2 PHE A 69 103.751 -0.744 -2.219 1.00 0.00 C ATOM 1124 CZ PHE A 69 102.634 -0.504 -3.026 1.00 0.00 C ATOM 0 H PHE A 69 107.595 0.619 -3.483 1.00 0.00 H new ATOM 0 HA PHE A 69 107.923 -0.945 -5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 69 106.133 -2.360 -5.682 1.00 0.00 H new ATOM 0 HB3 PHE A 69 106.885 -2.381 -4.099 1.00 0.00 H new ATOM 0 HD1 PHE A 69 104.014 -1.147 -6.065 1.00 0.00 H new ATOM 0 HD2 PHE A 69 105.823 -1.327 -2.175 1.00 0.00 H new ATOM 0 HE1 PHE A 69 101.866 -0.469 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 69 103.678 -0.627 -1.148 1.00 0.00 H new ATOM 0 HZ PHE A 69 101.698 -0.204 -2.578 1.00 0.00 H new ATOM 1134 N LEU A 70 106.909 1.084 -6.927 1.00 0.00 N ATOM 1135 CA LEU A 70 106.216 2.228 -7.583 1.00 0.00 C ATOM 1136 C LEU A 70 105.065 1.692 -8.428 1.00 0.00 C ATOM 1137 O LEU A 70 104.830 0.504 -8.483 1.00 0.00 O ATOM 1138 CB LEU A 70 107.195 2.972 -8.494 1.00 0.00 C ATOM 1139 CG LEU A 70 108.461 3.327 -7.718 1.00 0.00 C ATOM 1140 CD1 LEU A 70 109.655 3.345 -8.676 1.00 0.00 C ATOM 1141 CD2 LEU A 70 108.296 4.711 -7.087 1.00 0.00 C ATOM 0 H LEU A 70 107.734 0.742 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 70 105.839 2.909 -6.820 1.00 0.00 H new ATOM 0 HB2 LEU A 70 107.447 2.352 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 70 106.729 3.878 -8.880 1.00 0.00 H new ATOM 0 HG LEU A 70 108.631 2.586 -6.937 1.00 0.00 H new ATOM 0 HD11 LEU A 70 110.560 3.598 -8.124 1.00 0.00 H new ATOM 0 HD12 LEU A 70 109.771 2.362 -9.132 1.00 0.00 H new ATOM 0 HD13 LEU A 70 109.485 4.088 -9.455 1.00 0.00 H new ATOM 0 HD21 LEU A 70 109.198 4.968 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 70 108.129 5.450 -7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 70 107.443 4.702 -6.409 1.00 0.00 H new ATOM 1153 N THR A 71 104.348 2.555 -9.089 1.00 0.00 N ATOM 1154 CA THR A 71 103.215 2.077 -9.930 1.00 0.00 C ATOM 1155 C THR A 71 103.018 3.003 -11.137 1.00 0.00 C ATOM 1156 O THR A 71 103.327 4.176 -11.075 1.00 0.00 O ATOM 1157 CB THR A 71 101.935 2.079 -9.103 1.00 0.00 C ATOM 1158 OG1 THR A 71 101.723 3.380 -8.572 1.00 0.00 O ATOM 1159 CG2 THR A 71 102.032 1.072 -7.954 1.00 0.00 C ATOM 0 H THR A 71 104.495 3.564 -9.085 1.00 0.00 H new ATOM 0 HA THR A 71 103.441 1.069 -10.279 1.00 0.00 H new ATOM 0 HB THR A 71 101.102 1.796 -9.746 1.00 0.00 H new ATOM 0 HG1 THR A 71 100.761 3.561 -8.525 1.00 0.00 H new ATOM 0 HG21 THR A 71 101.108 1.089 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 71 102.188 0.072 -8.359 1.00 0.00 H new ATOM 0 HG23 THR A 71 102.869 1.337 -7.308 1.00 0.00 H new ATOM 1167 N PRO A 72 102.487 2.441 -12.197 1.00 0.00 N ATOM 1168 CA PRO A 72 102.205 3.181 -13.439 1.00 0.00 C ATOM 1169 C PRO A 72 100.898 3.967 -13.291 1.00 0.00 C ATOM 1170 O PRO A 72 100.904 5.155 -13.044 1.00 0.00 O ATOM 1171 CB PRO A 72 102.059 2.078 -14.489 1.00 0.00 C ATOM 1172 CG PRO A 72 101.696 0.786 -13.717 1.00 0.00 C ATOM 1173 CD PRO A 72 102.124 1.010 -12.254 1.00 0.00 C ATOM 0 HA PRO A 72 102.977 3.906 -13.698 1.00 0.00 H new ATOM 0 HB2 PRO A 72 101.283 2.330 -15.212 1.00 0.00 H new ATOM 0 HB3 PRO A 72 102.986 1.949 -15.048 1.00 0.00 H new ATOM 0 HG2 PRO A 72 100.627 0.584 -13.781 1.00 0.00 H new ATOM 0 HG3 PRO A 72 102.209 -0.076 -14.143 1.00 0.00 H new ATOM 0 HD2 PRO A 72 101.315 0.777 -11.562 1.00 0.00 H new ATOM 0 HD3 PRO A 72 102.967 0.374 -11.984 1.00 0.00 H new ATOM 1181 N HIS A 73 99.775 3.307 -13.429 1.00 0.00 N ATOM 1182 CA HIS A 73 98.470 4.018 -13.280 1.00 0.00 C ATOM 1183 C HIS A 73 98.349 4.521 -11.838 1.00 0.00 C ATOM 1184 O HIS A 73 97.839 3.843 -10.977 1.00 0.00 O ATOM 1185 CB HIS A 73 97.320 3.053 -13.602 1.00 0.00 C ATOM 1186 CG HIS A 73 97.352 1.888 -12.649 1.00 0.00 C ATOM 1187 ND1 HIS A 73 96.570 1.851 -11.507 1.00 0.00 N ATOM 1188 CD2 HIS A 73 98.085 0.727 -12.638 1.00 0.00 C ATOM 1189 CE1 HIS A 73 96.854 0.708 -10.854 1.00 0.00 C ATOM 1190 NE2 HIS A 73 97.769 -0.017 -11.505 1.00 0.00 N ATOM 0 H HIS A 73 99.706 2.311 -13.637 1.00 0.00 H new ATOM 0 HA HIS A 73 98.420 4.862 -13.967 1.00 0.00 H new ATOM 0 HB2 HIS A 73 96.365 3.572 -13.525 1.00 0.00 H new ATOM 0 HB3 HIS A 73 97.408 2.698 -14.629 1.00 0.00 H new ATOM 0 HD2 HIS A 73 98.799 0.435 -13.394 1.00 0.00 H new ATOM 0 HE1 HIS A 73 96.399 0.414 -9.920 1.00 0.00 H new ATOM 0 HE2 HIS A 73 98.153 -0.921 -11.230 1.00 0.00 H new ATOM 1198 N ARG A 74 98.843 5.700 -11.576 1.00 0.00 N ATOM 1199 CA ARG A 74 98.805 6.273 -10.192 1.00 0.00 C ATOM 1200 C ARG A 74 97.548 5.848 -9.420 1.00 0.00 C ATOM 1201 O ARG A 74 96.468 5.735 -9.966 1.00 0.00 O ATOM 1202 CB ARG A 74 98.829 7.799 -10.288 1.00 0.00 C ATOM 1203 CG ARG A 74 100.208 8.321 -9.879 1.00 0.00 C ATOM 1204 CD ARG A 74 100.307 9.810 -10.215 1.00 0.00 C ATOM 1205 NE ARG A 74 99.556 10.087 -11.472 1.00 0.00 N ATOM 1206 CZ ARG A 74 100.201 10.341 -12.577 1.00 0.00 C ATOM 1207 NH1 ARG A 74 100.787 9.372 -13.228 1.00 0.00 N ATOM 1208 NH2 ARG A 74 100.261 11.563 -13.032 1.00 0.00 N ATOM 0 H ARG A 74 99.280 6.304 -12.272 1.00 0.00 H new ATOM 0 HA ARG A 74 99.673 5.895 -9.652 1.00 0.00 H new ATOM 0 HB2 ARG A 74 98.598 8.112 -11.306 1.00 0.00 H new ATOM 0 HB3 ARG A 74 98.062 8.226 -9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 74 100.366 8.166 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 74 100.988 7.766 -10.400 1.00 0.00 H new ATOM 0 HD2 ARG A 74 99.901 10.406 -9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 74 101.352 10.099 -10.332 1.00 0.00 H new ATOM 0 HE ARG A 74 98.536 10.078 -11.468 1.00 0.00 H new ATOM 0 HH11 ARG A 74 100.740 8.417 -12.872 1.00 0.00 H new ATOM 0 HH12 ARG A 74 101.291 9.570 -14.092 1.00 0.00 H new ATOM 0 HH21 ARG A 74 99.803 12.320 -12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 74 100.765 11.761 -13.896 1.00 0.00 H new ATOM 1222 N HIS A 75 97.693 5.653 -8.130 1.00 0.00 N ATOM 1223 CA HIS A 75 96.530 5.277 -7.267 1.00 0.00 C ATOM 1224 C HIS A 75 96.716 5.941 -5.910 1.00 0.00 C ATOM 1225 O HIS A 75 97.814 6.001 -5.394 1.00 0.00 O ATOM 1226 CB HIS A 75 96.467 3.765 -7.013 1.00 0.00 C ATOM 1227 CG HIS A 75 97.599 3.067 -7.687 1.00 0.00 C ATOM 1228 ND1 HIS A 75 97.516 2.615 -8.982 1.00 0.00 N ATOM 1229 CD2 HIS A 75 98.842 2.721 -7.246 1.00 0.00 C ATOM 1230 CE1 HIS A 75 98.685 2.024 -9.277 1.00 0.00 C ATOM 1231 NE2 HIS A 75 99.525 2.062 -8.249 1.00 0.00 N ATOM 0 H HIS A 75 98.580 5.740 -7.634 1.00 0.00 H new ATOM 0 HA HIS A 75 95.620 5.593 -7.776 1.00 0.00 H new ATOM 0 HB2 HIS A 75 96.500 3.570 -5.941 1.00 0.00 H new ATOM 0 HB3 HIS A 75 95.520 3.369 -7.380 1.00 0.00 H new ATOM 0 HD1 HIS A 75 96.714 2.711 -9.605 1.00 0.00 H new ATOM 0 HD2 HIS A 75 99.233 2.931 -6.261 1.00 0.00 H new ATOM 0 HE1 HIS A 75 98.914 1.574 -10.232 1.00 0.00 H new ATOM 1239 N ARG A 76 95.670 6.409 -5.300 1.00 0.00 N ATOM 1240 CA ARG A 76 95.849 7.016 -3.960 1.00 0.00 C ATOM 1241 C ARG A 76 96.628 6.009 -3.112 1.00 0.00 C ATOM 1242 O ARG A 76 96.275 4.841 -3.039 1.00 0.00 O ATOM 1243 CB ARG A 76 94.486 7.298 -3.324 1.00 0.00 C ATOM 1244 CG ARG A 76 94.164 8.789 -3.451 1.00 0.00 C ATOM 1245 CD ARG A 76 92.962 9.133 -2.569 1.00 0.00 C ATOM 1246 NE ARG A 76 91.775 9.401 -3.431 1.00 0.00 N ATOM 1247 CZ ARG A 76 91.374 10.627 -3.627 1.00 0.00 C ATOM 1248 NH1 ARG A 76 92.218 11.615 -3.512 1.00 0.00 N ATOM 1249 NH2 ARG A 76 90.128 10.866 -3.936 1.00 0.00 N ATOM 0 H ARG A 76 94.717 6.399 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 76 96.386 7.962 -4.030 1.00 0.00 H new ATOM 0 HB2 ARG A 76 93.714 6.705 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 76 94.495 7.005 -2.274 1.00 0.00 H new ATOM 0 HG2 ARG A 76 95.028 9.384 -3.154 1.00 0.00 H new ATOM 0 HG3 ARG A 76 93.948 9.037 -4.490 1.00 0.00 H new ATOM 0 HD2 ARG A 76 92.751 8.310 -1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 76 93.185 10.007 -1.956 1.00 0.00 H new ATOM 0 HE ARG A 76 91.276 8.626 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 76 93.191 11.429 -3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 76 91.905 12.574 -3.665 1.00 0.00 H new ATOM 0 HH21 ARG A 76 89.467 10.094 -4.024 1.00 0.00 H new ATOM 0 HH22 ARG A 76 89.815 11.825 -4.089 1.00 0.00 H new ATOM 1263 N VAL A 77 97.699 6.419 -2.495 1.00 0.00 N ATOM 1264 CA VAL A 77 98.471 5.439 -1.694 1.00 0.00 C ATOM 1265 C VAL A 77 97.584 4.940 -0.551 1.00 0.00 C ATOM 1266 O VAL A 77 97.862 3.932 0.069 1.00 0.00 O ATOM 1267 CB VAL A 77 99.779 6.069 -1.188 1.00 0.00 C ATOM 1268 CG1 VAL A 77 100.177 5.469 0.168 1.00 0.00 C ATOM 1269 CG2 VAL A 77 100.894 5.784 -2.211 1.00 0.00 C ATOM 0 H VAL A 77 98.066 7.371 -2.510 1.00 0.00 H new ATOM 0 HA VAL A 77 98.757 4.585 -2.308 1.00 0.00 H new ATOM 0 HB VAL A 77 99.635 7.143 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 77 101.105 5.927 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 77 99.388 5.660 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 77 100.321 4.394 0.062 1.00 0.00 H new ATOM 0 HG21 VAL A 77 101.828 6.226 -1.864 1.00 0.00 H new ATOM 0 HG22 VAL A 77 101.021 4.707 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 77 100.624 6.217 -3.174 1.00 0.00 H new ATOM 1279 N SER A 78 96.493 5.610 -0.301 1.00 0.00 N ATOM 1280 CA SER A 78 95.567 5.141 0.763 1.00 0.00 C ATOM 1281 C SER A 78 94.769 3.973 0.179 1.00 0.00 C ATOM 1282 O SER A 78 94.413 3.033 0.859 1.00 0.00 O ATOM 1283 CB SER A 78 94.625 6.278 1.170 1.00 0.00 C ATOM 1284 OG SER A 78 93.296 5.966 0.770 1.00 0.00 O ATOM 0 H SER A 78 96.205 6.459 -0.787 1.00 0.00 H new ATOM 0 HA SER A 78 96.115 4.826 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 78 94.665 6.427 2.249 1.00 0.00 H new ATOM 0 HB3 SER A 78 94.945 7.212 0.707 1.00 0.00 H new ATOM 0 HG SER A 78 92.696 6.694 1.033 1.00 0.00 H new ATOM 1290 N ALA A 79 94.506 4.034 -1.100 1.00 0.00 N ATOM 1291 CA ALA A 79 93.757 2.939 -1.778 1.00 0.00 C ATOM 1292 C ALA A 79 94.561 1.646 -1.679 1.00 0.00 C ATOM 1293 O ALA A 79 94.075 0.639 -1.204 1.00 0.00 O ATOM 1294 CB ALA A 79 93.569 3.292 -3.255 1.00 0.00 C ATOM 0 H ALA A 79 94.782 4.805 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 79 92.785 2.812 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 79 93.021 2.492 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 79 93.008 4.223 -3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 79 94.544 3.413 -3.727 1.00 0.00 H new ATOM 1300 N ILE A 80 95.791 1.660 -2.124 1.00 0.00 N ATOM 1301 CA ILE A 80 96.607 0.417 -2.042 1.00 0.00 C ATOM 1302 C ILE A 80 96.875 0.098 -0.575 1.00 0.00 C ATOM 1303 O ILE A 80 97.080 -1.041 -0.206 1.00 0.00 O ATOM 1304 CB ILE A 80 97.935 0.591 -2.774 1.00 0.00 C ATOM 1305 CG1 ILE A 80 97.659 1.128 -4.197 1.00 0.00 C ATOM 1306 CG2 ILE A 80 98.651 -0.764 -2.821 1.00 0.00 C ATOM 1307 CD1 ILE A 80 98.631 0.533 -5.220 1.00 0.00 C ATOM 0 H ILE A 80 96.259 2.468 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 80 96.058 -0.398 -2.513 1.00 0.00 H new ATOM 0 HB ILE A 80 98.574 1.306 -2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 80 96.635 0.889 -4.485 1.00 0.00 H new ATOM 0 HG13 ILE A 80 97.746 2.215 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 80 99.602 -0.655 -3.342 1.00 0.00 H new ATOM 0 HG22 ILE A 80 98.832 -1.116 -1.805 1.00 0.00 H new ATOM 0 HG23 ILE A 80 98.029 -1.486 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 80 98.408 0.933 -6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 80 99.653 0.794 -4.945 1.00 0.00 H new ATOM 0 HD13 ILE A 80 98.525 -0.552 -5.234 1.00 0.00 H new ATOM 1319 N ASN A 81 96.857 1.088 0.278 1.00 0.00 N ATOM 1320 CA ASN A 81 97.085 0.803 1.718 1.00 0.00 C ATOM 1321 C ASN A 81 96.156 -0.344 2.099 1.00 0.00 C ATOM 1322 O ASN A 81 96.423 -1.116 2.998 1.00 0.00 O ATOM 1323 CB ASN A 81 96.757 2.040 2.559 1.00 0.00 C ATOM 1324 CG ASN A 81 96.793 1.672 4.044 1.00 0.00 C ATOM 1325 OD1 ASN A 81 97.773 1.917 4.719 1.00 0.00 O ATOM 1326 ND2 ASN A 81 95.758 1.089 4.584 1.00 0.00 N ATOM 0 H ASN A 81 96.696 2.067 0.041 1.00 0.00 H new ATOM 0 HA ASN A 81 98.127 0.539 1.900 1.00 0.00 H new ATOM 0 HB2 ASN A 81 97.475 2.834 2.353 1.00 0.00 H new ATOM 0 HB3 ASN A 81 95.772 2.424 2.292 1.00 0.00 H new ATOM 0 HD21 ASN A 81 95.772 0.839 5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 81 94.935 0.883 4.017 1.00 0.00 H new ATOM 1333 N ASN A 82 95.068 -0.465 1.386 1.00 0.00 N ATOM 1334 CA ASN A 82 94.108 -1.563 1.654 1.00 0.00 C ATOM 1335 C ASN A 82 94.745 -2.881 1.214 1.00 0.00 C ATOM 1336 O ASN A 82 94.730 -3.859 1.934 1.00 0.00 O ATOM 1337 CB ASN A 82 92.822 -1.318 0.861 1.00 0.00 C ATOM 1338 CG ASN A 82 91.630 -1.271 1.820 1.00 0.00 C ATOM 1339 OD1 ASN A 82 91.783 -1.476 3.007 1.00 0.00 O ATOM 1340 ND2 ASN A 82 90.441 -1.007 1.351 1.00 0.00 N ATOM 0 H ASN A 82 94.805 0.159 0.623 1.00 0.00 H new ATOM 0 HA ASN A 82 93.867 -1.604 2.716 1.00 0.00 H new ATOM 0 HB2 ASN A 82 92.896 -0.381 0.310 1.00 0.00 H new ATOM 0 HB3 ASN A 82 92.679 -2.110 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 82 89.640 -0.973 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 82 90.313 -0.835 0.354 1.00 0.00 H new ATOM 1347 N TYR A 83 95.325 -2.914 0.040 1.00 0.00 N ATOM 1348 CA TYR A 83 95.978 -4.172 -0.419 1.00 0.00 C ATOM 1349 C TYR A 83 97.065 -4.551 0.587 1.00 0.00 C ATOM 1350 O TYR A 83 96.990 -5.571 1.243 1.00 0.00 O ATOM 1351 CB TYR A 83 96.607 -3.964 -1.800 1.00 0.00 C ATOM 1352 CG TYR A 83 97.524 -5.125 -2.113 1.00 0.00 C ATOM 1353 CD1 TYR A 83 97.117 -6.433 -1.824 1.00 0.00 C ATOM 1354 CD2 TYR A 83 98.781 -4.894 -2.686 1.00 0.00 C ATOM 1355 CE1 TYR A 83 97.964 -7.507 -2.107 1.00 0.00 C ATOM 1356 CE2 TYR A 83 99.629 -5.971 -2.968 1.00 0.00 C ATOM 1357 CZ TYR A 83 99.219 -7.277 -2.679 1.00 0.00 C ATOM 1358 OH TYR A 83 100.055 -8.339 -2.953 1.00 0.00 O ATOM 0 H TYR A 83 95.373 -2.131 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 83 95.236 -4.967 -0.489 1.00 0.00 H new ATOM 0 HB2 TYR A 83 95.828 -3.886 -2.559 1.00 0.00 H new ATOM 0 HB3 TYR A 83 97.166 -3.029 -1.820 1.00 0.00 H new ATOM 0 HD1 TYR A 83 96.148 -6.612 -1.382 1.00 0.00 H new ATOM 0 HD2 TYR A 83 99.096 -3.885 -2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 83 97.649 -8.516 -1.884 1.00 0.00 H new ATOM 0 HE2 TYR A 83 100.599 -5.794 -3.408 1.00 0.00 H new ATOM 0 HH TYR A 83 100.945 -8.158 -2.585 1.00 0.00 H new ATOM 1368 N ALA A 84 98.073 -3.733 0.719 1.00 0.00 N ATOM 1369 CA ALA A 84 99.155 -4.041 1.691 1.00 0.00 C ATOM 1370 C ALA A 84 98.526 -4.371 3.043 1.00 0.00 C ATOM 1371 O ALA A 84 99.051 -5.152 3.809 1.00 0.00 O ATOM 1372 CB ALA A 84 100.076 -2.829 1.836 1.00 0.00 C ATOM 0 H ALA A 84 98.192 -2.866 0.195 1.00 0.00 H new ATOM 0 HA ALA A 84 99.738 -4.891 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 84 100.868 -3.057 2.549 1.00 0.00 H new ATOM 0 HB2 ALA A 84 100.517 -2.589 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 84 99.500 -1.975 2.194 1.00 0.00 H new ATOM 1378 N GLN A 85 97.395 -3.788 3.336 1.00 0.00 N ATOM 1379 CA GLN A 85 96.727 -4.082 4.632 1.00 0.00 C ATOM 1380 C GLN A 85 96.390 -5.571 4.673 1.00 0.00 C ATOM 1381 O GLN A 85 96.661 -6.254 5.640 1.00 0.00 O ATOM 1382 CB GLN A 85 95.441 -3.259 4.750 1.00 0.00 C ATOM 1383 CG GLN A 85 95.601 -2.212 5.855 1.00 0.00 C ATOM 1384 CD GLN A 85 96.052 -2.897 7.146 1.00 0.00 C ATOM 1385 OE1 GLN A 85 95.754 -4.152 7.343 1.00 0.00 O flip ATOM 1386 NE2 GLN A 85 96.682 -2.282 7.984 1.00 0.00 N flip ATOM 0 H GLN A 85 96.908 -3.123 2.735 1.00 0.00 H new ATOM 0 HA GLN A 85 97.387 -3.823 5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 85 95.222 -2.770 3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 85 94.598 -3.913 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 85 96.331 -1.460 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 85 94.657 -1.692 6.017 1.00 0.00 H new ATOM 0 HE21 GLN A 85 96.914 -1.301 7.829 1.00 0.00 H new ATOM 0 HE22 GLN A 85 96.978 -2.747 8.842 1.00 0.00 H new ATOM 1395 N LYS A 86 95.822 -6.086 3.615 1.00 0.00 N ATOM 1396 CA LYS A 86 95.499 -7.535 3.582 1.00 0.00 C ATOM 1397 C LYS A 86 96.812 -8.309 3.636 1.00 0.00 C ATOM 1398 O LYS A 86 96.850 -9.481 3.952 1.00 0.00 O ATOM 1399 CB LYS A 86 94.757 -7.870 2.286 1.00 0.00 C ATOM 1400 CG LYS A 86 93.744 -8.984 2.549 1.00 0.00 C ATOM 1401 CD LYS A 86 92.361 -8.541 2.067 1.00 0.00 C ATOM 1402 CE LYS A 86 91.867 -9.500 0.983 1.00 0.00 C ATOM 1403 NZ LYS A 86 90.555 -9.024 0.459 1.00 0.00 N ATOM 0 H LYS A 86 95.570 -5.564 2.776 1.00 0.00 H new ATOM 0 HA LYS A 86 94.864 -7.802 4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 86 94.248 -6.984 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 86 95.466 -8.183 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 86 94.047 -9.895 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 86 93.712 -9.217 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 86 91.660 -8.527 2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 86 92.409 -7.525 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 86 92.595 -9.557 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 86 91.765 -10.506 1.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 90.219 -9.676 -0.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 89.863 -8.991 1.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 90.667 -8.072 0.055 1.00 0.00 H new ATOM 1417 N LEU A 87 97.895 -7.644 3.334 1.00 0.00 N ATOM 1418 CA LEU A 87 99.222 -8.307 3.367 1.00 0.00 C ATOM 1419 C LEU A 87 99.827 -8.140 4.762 1.00 0.00 C ATOM 1420 O LEU A 87 101.029 -8.113 4.931 1.00 0.00 O ATOM 1421 CB LEU A 87 100.135 -7.658 2.326 1.00 0.00 C ATOM 1422 CG LEU A 87 99.562 -7.909 0.930 1.00 0.00 C ATOM 1423 CD1 LEU A 87 100.087 -6.850 -0.043 1.00 0.00 C ATOM 1424 CD2 LEU A 87 99.992 -9.295 0.453 1.00 0.00 C ATOM 0 H LEU A 87 97.913 -6.661 3.064 1.00 0.00 H new ATOM 0 HA LEU A 87 99.116 -9.368 3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 87 100.215 -6.587 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 101.141 -8.071 2.399 1.00 0.00 H new ATOM 0 HG LEU A 87 98.474 -7.853 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 87 99.676 -7.033 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 87 99.784 -5.860 0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 87 101.175 -6.902 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 87 99.586 -9.479 -0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 87 101.080 -9.346 0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 87 99.617 -10.050 1.144 1.00 0.00 H new ATOM 1436 N CYS A 88 98.997 -8.031 5.764 1.00 0.00 N ATOM 1437 CA CYS A 88 99.511 -7.872 7.150 1.00 0.00 C ATOM 1438 C CYS A 88 98.838 -8.910 8.048 1.00 0.00 C ATOM 1439 O CYS A 88 98.863 -8.811 9.259 1.00 0.00 O ATOM 1440 CB CYS A 88 99.185 -6.467 7.660 1.00 0.00 C ATOM 1441 SG CYS A 88 99.862 -6.257 9.326 1.00 0.00 S ATOM 0 H CYS A 88 97.981 -8.046 5.679 1.00 0.00 H new ATOM 0 HA CYS A 88 100.591 -8.015 7.162 1.00 0.00 H new ATOM 0 HB2 CYS A 88 99.605 -5.718 6.988 1.00 0.00 H new ATOM 0 HB3 CYS A 88 98.106 -6.314 7.673 1.00 0.00 H new ATOM 0 HG CYS A 88 100.893 -7.035 9.477 1.00 0.00 H new ATOM 1447 N THR A 89 98.234 -9.908 7.459 1.00 0.00 N ATOM 1448 CA THR A 89 97.555 -10.955 8.272 1.00 0.00 C ATOM 1449 C THR A 89 98.570 -12.027 8.672 1.00 0.00 C ATOM 1450 O THR A 89 98.369 -13.202 8.441 1.00 0.00 O ATOM 1451 CB THR A 89 96.436 -11.595 7.446 1.00 0.00 C ATOM 1452 OG1 THR A 89 96.992 -12.196 6.284 1.00 0.00 O ATOM 1453 CG2 THR A 89 95.423 -10.524 7.037 1.00 0.00 C ATOM 0 H THR A 89 98.182 -10.042 6.449 1.00 0.00 H new ATOM 0 HA THR A 89 97.132 -10.502 9.169 1.00 0.00 H new ATOM 0 HB THR A 89 95.933 -12.356 8.043 1.00 0.00 H new ATOM 0 HG1 THR A 89 97.965 -12.082 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 89 94.627 -10.981 6.449 1.00 0.00 H new ATOM 0 HG22 THR A 89 94.997 -10.066 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 89 95.922 -9.760 6.440 1.00 0.00 H new ATOM 1461 N PHE A 90 99.658 -11.631 9.270 1.00 0.00 N ATOM 1462 CA PHE A 90 100.683 -12.629 9.685 1.00 0.00 C ATOM 1463 C PHE A 90 101.755 -11.936 10.526 1.00 0.00 C ATOM 1464 O PHE A 90 102.285 -12.501 11.462 1.00 0.00 O ATOM 1465 CB PHE A 90 101.336 -13.265 8.449 1.00 0.00 C ATOM 1466 CG PHE A 90 101.084 -12.414 7.223 1.00 0.00 C ATOM 1467 CD1 PHE A 90 101.883 -11.291 6.970 1.00 0.00 C ATOM 1468 CD2 PHE A 90 100.057 -12.756 6.336 1.00 0.00 C ATOM 1469 CE1 PHE A 90 101.651 -10.510 5.830 1.00 0.00 C ATOM 1470 CE2 PHE A 90 99.829 -11.976 5.195 1.00 0.00 C ATOM 1471 CZ PHE A 90 100.625 -10.853 4.944 1.00 0.00 C ATOM 0 H PHE A 90 99.882 -10.660 9.489 1.00 0.00 H new ATOM 0 HA PHE A 90 100.200 -13.410 10.272 1.00 0.00 H new ATOM 0 HB2 PHE A 90 102.409 -13.372 8.611 1.00 0.00 H new ATOM 0 HB3 PHE A 90 100.935 -14.267 8.293 1.00 0.00 H new ATOM 0 HD1 PHE A 90 102.677 -11.028 7.653 1.00 0.00 H new ATOM 0 HD2 PHE A 90 99.440 -13.621 6.531 1.00 0.00 H new ATOM 0 HE1 PHE A 90 102.265 -9.643 5.636 1.00 0.00 H new ATOM 0 HE2 PHE A 90 99.038 -12.242 4.509 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.447 -10.251 4.065 1.00 0.00 H new ATOM 1481 N SER A 91 102.080 -10.714 10.204 1.00 0.00 N ATOM 1482 CA SER A 91 103.117 -9.989 10.990 1.00 0.00 C ATOM 1483 C SER A 91 102.862 -8.484 10.907 1.00 0.00 C ATOM 1484 O SER A 91 102.070 -8.020 10.111 1.00 0.00 O ATOM 1485 CB SER A 91 104.500 -10.306 10.422 1.00 0.00 C ATOM 1486 OG SER A 91 105.381 -9.227 10.706 1.00 0.00 O ATOM 0 H SER A 91 101.673 -10.187 9.431 1.00 0.00 H new ATOM 0 HA SER A 91 103.071 -10.306 12.032 1.00 0.00 H new ATOM 0 HB2 SER A 91 104.883 -11.228 10.859 1.00 0.00 H new ATOM 0 HB3 SER A 91 104.436 -10.465 9.346 1.00 0.00 H new ATOM 0 HG SER A 91 105.349 -8.577 9.973 1.00 0.00 H new ATOM 1492 N PHE A 92 103.528 -7.716 11.725 1.00 0.00 N ATOM 1493 CA PHE A 92 103.326 -6.241 11.696 1.00 0.00 C ATOM 1494 C PHE A 92 103.484 -5.735 10.255 1.00 0.00 C ATOM 1495 O PHE A 92 103.917 -6.459 9.382 1.00 0.00 O ATOM 1496 CB PHE A 92 104.358 -5.579 12.619 1.00 0.00 C ATOM 1497 CG PHE A 92 105.663 -5.378 11.885 1.00 0.00 C ATOM 1498 CD1 PHE A 92 106.647 -6.374 11.896 1.00 0.00 C ATOM 1499 CD2 PHE A 92 105.885 -4.187 11.193 1.00 0.00 C ATOM 1500 CE1 PHE A 92 107.850 -6.173 11.213 1.00 0.00 C ATOM 1501 CE2 PHE A 92 107.087 -3.984 10.510 1.00 0.00 C ATOM 1502 CZ PHE A 92 108.071 -4.978 10.519 1.00 0.00 C ATOM 0 H PHE A 92 104.204 -8.047 12.413 1.00 0.00 H new ATOM 0 HA PHE A 92 102.325 -5.989 12.045 1.00 0.00 H new ATOM 0 HB2 PHE A 92 103.979 -4.620 12.971 1.00 0.00 H new ATOM 0 HB3 PHE A 92 104.520 -6.200 13.500 1.00 0.00 H new ATOM 0 HD1 PHE A 92 106.477 -7.296 12.431 1.00 0.00 H new ATOM 0 HD2 PHE A 92 105.125 -3.419 11.185 1.00 0.00 H new ATOM 0 HE1 PHE A 92 108.610 -6.941 11.221 1.00 0.00 H new ATOM 0 HE2 PHE A 92 107.256 -3.061 9.976 1.00 0.00 H new ATOM 0 HZ PHE A 92 109.000 -4.823 9.991 1.00 0.00 H new ATOM 1512 N LEU A 93 103.136 -4.500 9.995 1.00 0.00 N ATOM 1513 CA LEU A 93 103.273 -3.976 8.604 1.00 0.00 C ATOM 1514 C LEU A 93 103.283 -2.441 8.609 1.00 0.00 C ATOM 1515 O LEU A 93 102.558 -1.805 9.348 1.00 0.00 O ATOM 1516 CB LEU A 93 102.097 -4.481 7.759 1.00 0.00 C ATOM 1517 CG LEU A 93 101.993 -3.667 6.467 1.00 0.00 C ATOM 1518 CD1 LEU A 93 101.593 -4.587 5.311 1.00 0.00 C ATOM 1519 CD2 LEU A 93 100.932 -2.577 6.640 1.00 0.00 C ATOM 0 H LEU A 93 102.767 -3.839 10.678 1.00 0.00 H new ATOM 0 HA LEU A 93 104.213 -4.329 8.180 1.00 0.00 H new ATOM 0 HB2 LEU A 93 102.234 -5.536 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.170 -4.399 8.326 1.00 0.00 H new ATOM 0 HG LEU A 93 102.957 -3.209 6.247 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.519 -4.006 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.346 -5.366 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 93 100.628 -5.046 5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 93 100.855 -1.995 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.969 -3.038 6.859 1.00 0.00 H new ATOM 0 HD23 LEU A 93 101.215 -1.921 7.463 1.00 0.00 H new ATOM 1531 N ILE A 94 104.090 -1.848 7.767 1.00 0.00 N ATOM 1532 CA ILE A 94 104.147 -0.358 7.687 1.00 0.00 C ATOM 1533 C ILE A 94 104.063 0.047 6.214 1.00 0.00 C ATOM 1534 O ILE A 94 104.979 0.621 5.659 1.00 0.00 O ATOM 1535 CB ILE A 94 105.464 0.148 8.292 1.00 0.00 C ATOM 1536 CG1 ILE A 94 105.378 0.091 9.815 1.00 0.00 C ATOM 1537 CG2 ILE A 94 105.717 1.596 7.863 1.00 0.00 C ATOM 1538 CD1 ILE A 94 105.455 -1.361 10.273 1.00 0.00 C ATOM 0 H ILE A 94 104.716 -2.336 7.127 1.00 0.00 H new ATOM 0 HA ILE A 94 103.319 0.079 8.245 1.00 0.00 H new ATOM 0 HB ILE A 94 106.280 -0.483 7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 94 106.191 0.667 10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 94 104.446 0.542 10.155 1.00 0.00 H new ATOM 0 HG21 ILE A 94 106.654 1.946 8.297 1.00 0.00 H new ATOM 0 HG22 ILE A 94 105.779 1.648 6.776 1.00 0.00 H new ATOM 0 HG23 ILE A 94 104.898 2.227 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 94 105.394 -1.403 11.360 1.00 0.00 H new ATOM 0 HD12 ILE A 94 104.627 -1.923 9.841 1.00 0.00 H new ATOM 0 HD13 ILE A 94 106.399 -1.796 9.946 1.00 0.00 H new ATOM 1550 N CYS A 95 102.975 -0.259 5.567 1.00 0.00 N ATOM 1551 CA CYS A 95 102.850 0.102 4.129 1.00 0.00 C ATOM 1552 C CYS A 95 102.386 1.554 4.005 1.00 0.00 C ATOM 1553 O CYS A 95 101.213 1.851 4.108 1.00 0.00 O ATOM 1554 CB CYS A 95 101.831 -0.814 3.454 1.00 0.00 C ATOM 1555 SG CYS A 95 101.576 -0.265 1.748 1.00 0.00 S ATOM 0 H CYS A 95 102.171 -0.741 5.969 1.00 0.00 H new ATOM 0 HA CYS A 95 103.819 -0.015 3.644 1.00 0.00 H new ATOM 0 HB2 CYS A 95 102.185 -1.845 3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 95 100.888 -0.794 4.000 1.00 0.00 H new ATOM 0 HG CYS A 95 100.326 0.047 1.575 1.00 0.00 H new ATOM 1561 N LYS A 96 103.295 2.462 3.780 1.00 0.00 N ATOM 1562 CA LYS A 96 102.902 3.893 3.646 1.00 0.00 C ATOM 1563 C LYS A 96 103.260 4.390 2.245 1.00 0.00 C ATOM 1564 O LYS A 96 103.499 3.614 1.342 1.00 0.00 O ATOM 1565 CB LYS A 96 103.648 4.730 4.689 1.00 0.00 C ATOM 1566 CG LYS A 96 103.559 4.046 6.055 1.00 0.00 C ATOM 1567 CD LYS A 96 103.357 5.101 7.144 1.00 0.00 C ATOM 1568 CE LYS A 96 103.471 4.442 8.520 1.00 0.00 C ATOM 1569 NZ LYS A 96 104.192 5.355 9.451 1.00 0.00 N ATOM 0 H LYS A 96 104.293 2.275 3.683 1.00 0.00 H new ATOM 0 HA LYS A 96 101.828 3.990 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 96 104.692 4.847 4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 96 103.218 5.730 4.743 1.00 0.00 H new ATOM 0 HG2 LYS A 96 102.732 3.336 6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 96 104.469 3.478 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 96 104.103 5.890 7.044 1.00 0.00 H new ATOM 0 HD3 LYS A 96 102.379 5.570 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 96 102.478 4.217 8.910 1.00 0.00 H new ATOM 0 HE3 LYS A 96 104.004 3.494 8.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 103.892 5.162 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 105.217 5.199 9.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 103.971 6.342 9.209 1.00 0.00 H new ATOM 1583 N GLY A 97 103.301 5.681 2.056 1.00 0.00 N ATOM 1584 CA GLY A 97 103.644 6.228 0.713 1.00 0.00 C ATOM 1585 C GLY A 97 105.003 6.926 0.782 1.00 0.00 C ATOM 1586 O GLY A 97 105.502 7.228 1.848 1.00 0.00 O ATOM 0 H GLY A 97 103.112 6.380 2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 97 103.672 5.424 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 97 102.877 6.931 0.388 1.00 0.00 H new ATOM 1590 N VAL A 98 105.608 7.184 -0.344 1.00 0.00 N ATOM 1591 CA VAL A 98 106.935 7.864 -0.335 1.00 0.00 C ATOM 1592 C VAL A 98 106.902 9.044 -1.306 1.00 0.00 C ATOM 1593 O VAL A 98 106.366 8.953 -2.392 1.00 0.00 O ATOM 1594 CB VAL A 98 108.032 6.881 -0.764 1.00 0.00 C ATOM 1595 CG1 VAL A 98 109.315 7.181 0.014 1.00 0.00 C ATOM 1596 CG2 VAL A 98 107.591 5.443 -0.473 1.00 0.00 C ATOM 0 H VAL A 98 105.243 6.954 -1.268 1.00 0.00 H new ATOM 0 HA VAL A 98 107.150 8.219 0.673 1.00 0.00 H new ATOM 0 HB VAL A 98 108.212 6.992 -1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 98 110.096 6.484 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 98 109.638 8.201 -0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 98 109.127 7.073 1.082 1.00 0.00 H new ATOM 0 HG21 VAL A 98 108.376 4.752 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 98 107.405 5.328 0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 98 106.678 5.224 -1.026 1.00 0.00 H new ATOM 1606 N ASN A 99 107.471 10.154 -0.924 1.00 0.00 N ATOM 1607 CA ASN A 99 107.469 11.338 -1.826 1.00 0.00 C ATOM 1608 C ASN A 99 108.720 11.314 -2.705 1.00 0.00 C ATOM 1609 O ASN A 99 108.861 12.096 -3.624 1.00 0.00 O ATOM 1610 CB ASN A 99 107.458 12.617 -0.988 1.00 0.00 C ATOM 1611 CG ASN A 99 106.453 12.467 0.157 1.00 0.00 C ATOM 1612 OD1 ASN A 99 106.817 12.538 1.313 1.00 0.00 O ATOM 1613 ND2 ASN A 99 105.194 12.261 -0.119 1.00 0.00 N ATOM 0 H ASN A 99 107.937 10.291 -0.027 1.00 0.00 H new ATOM 0 HA ASN A 99 106.582 11.310 -2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 99 108.454 12.812 -0.589 1.00 0.00 H new ATOM 0 HB3 ASN A 99 107.191 13.471 -1.611 1.00 0.00 H new ATOM 0 HD21 ASN A 99 104.516 12.160 0.636 1.00 0.00 H new ATOM 0 HD22 ASN A 99 104.888 12.201 -1.090 1.00 0.00 H new ATOM 1620 N LYS A 100 109.635 10.423 -2.431 1.00 0.00 N ATOM 1621 CA LYS A 100 110.874 10.357 -3.255 1.00 0.00 C ATOM 1622 C LYS A 100 111.537 8.988 -3.091 1.00 0.00 C ATOM 1623 O LYS A 100 112.487 8.833 -2.348 1.00 0.00 O ATOM 1624 CB LYS A 100 111.845 11.448 -2.799 1.00 0.00 C ATOM 1625 CG LYS A 100 111.881 12.568 -3.840 1.00 0.00 C ATOM 1626 CD LYS A 100 112.368 13.862 -3.185 1.00 0.00 C ATOM 1627 CE LYS A 100 111.424 14.246 -2.044 1.00 0.00 C ATOM 1628 NZ LYS A 100 111.686 15.655 -1.634 1.00 0.00 N ATOM 0 H LYS A 100 109.578 9.741 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 100 110.616 10.507 -4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 100 111.534 11.845 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 100 112.842 11.029 -2.666 1.00 0.00 H new ATOM 0 HG2 LYS A 100 112.542 12.293 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 100 110.888 12.715 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS A 100 113.381 13.730 -2.804 1.00 0.00 H new ATOM 0 HD3 LYS A 100 112.407 14.663 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 100 110.388 14.136 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 100 111.570 13.576 -1.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 111.044 15.916 -0.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 112.671 15.746 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 111.526 16.288 -2.444 1.00 0.00 H new ATOM 1642 N GLU A 101 111.056 7.993 -3.786 1.00 0.00 N ATOM 1643 CA GLU A 101 111.678 6.644 -3.670 1.00 0.00 C ATOM 1644 C GLU A 101 113.192 6.786 -3.825 1.00 0.00 C ATOM 1645 O GLU A 101 113.962 6.179 -3.109 1.00 0.00 O ATOM 1646 CB GLU A 101 111.139 5.730 -4.771 1.00 0.00 C ATOM 1647 CG GLU A 101 111.116 4.286 -4.269 1.00 0.00 C ATOM 1648 CD GLU A 101 109.935 4.095 -3.315 1.00 0.00 C ATOM 1649 OE1 GLU A 101 109.934 4.726 -2.271 1.00 0.00 O ATOM 1650 OE2 GLU A 101 109.052 3.321 -3.645 1.00 0.00 O ATOM 0 H GLU A 101 110.264 8.055 -4.425 1.00 0.00 H new ATOM 0 HA GLU A 101 111.440 6.211 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 101 110.135 6.042 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 101 111.764 5.807 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 101 111.032 3.599 -5.111 1.00 0.00 H new ATOM 0 HG3 GLU A 101 112.051 4.052 -3.759 1.00 0.00 H new ATOM 1657 N TYR A 102 113.620 7.593 -4.757 1.00 0.00 N ATOM 1658 CA TYR A 102 115.082 7.791 -4.967 1.00 0.00 C ATOM 1659 C TYR A 102 115.778 7.915 -3.608 1.00 0.00 C ATOM 1660 O TYR A 102 116.631 7.124 -3.260 1.00 0.00 O ATOM 1661 CB TYR A 102 115.307 9.074 -5.773 1.00 0.00 C ATOM 1662 CG TYR A 102 116.707 9.085 -6.341 1.00 0.00 C ATOM 1663 CD1 TYR A 102 117.812 9.035 -5.482 1.00 0.00 C ATOM 1664 CD2 TYR A 102 116.901 9.144 -7.726 1.00 0.00 C ATOM 1665 CE1 TYR A 102 119.109 9.046 -6.008 1.00 0.00 C ATOM 1666 CE2 TYR A 102 118.197 9.155 -8.252 1.00 0.00 C ATOM 1667 CZ TYR A 102 119.302 9.106 -7.394 1.00 0.00 C ATOM 1668 OH TYR A 102 120.580 9.117 -7.913 1.00 0.00 O ATOM 0 H TYR A 102 113.017 8.126 -5.384 1.00 0.00 H new ATOM 0 HA TYR A 102 115.493 6.940 -5.510 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.577 9.140 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 102 115.157 9.945 -5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 102 117.663 8.988 -4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.049 9.181 -8.389 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.961 9.008 -5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.345 9.201 -9.321 1.00 0.00 H new ATOM 0 HH TYR A 102 121.180 8.623 -7.316 1.00 0.00 H new ATOM 1678 N LEU A 103 115.420 8.909 -2.841 1.00 0.00 N ATOM 1679 CA LEU A 103 116.053 9.101 -1.505 1.00 0.00 C ATOM 1680 C LEU A 103 115.899 7.843 -0.649 1.00 0.00 C ATOM 1681 O LEU A 103 116.870 7.270 -0.201 1.00 0.00 O ATOM 1682 CB LEU A 103 115.386 10.275 -0.800 1.00 0.00 C ATOM 1683 CG LEU A 103 116.448 11.322 -0.477 1.00 0.00 C ATOM 1684 CD1 LEU A 103 117.384 10.780 0.601 1.00 0.00 C ATOM 1685 CD2 LEU A 103 117.260 11.633 -1.731 1.00 0.00 C ATOM 0 H LEU A 103 114.711 9.601 -3.085 1.00 0.00 H new ATOM 0 HA LEU A 103 117.116 9.300 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 103 114.612 10.706 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 103 114.898 9.938 0.114 1.00 0.00 H new ATOM 0 HG LEU A 103 115.961 12.230 -0.122 1.00 0.00 H new ATOM 0 HD11 LEU A 103 118.143 11.527 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 103 116.811 10.554 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 103 117.867 9.872 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 103 118.018 12.381 -1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 103 117.745 10.723 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 103 116.598 12.017 -2.507 1.00 0.00 H new ATOM 1697 N MET A 104 114.691 7.417 -0.406 1.00 0.00 N ATOM 1698 CA MET A 104 114.479 6.201 0.435 1.00 0.00 C ATOM 1699 C MET A 104 115.513 5.129 0.072 1.00 0.00 C ATOM 1700 O MET A 104 116.401 4.819 0.842 1.00 0.00 O ATOM 1701 CB MET A 104 113.071 5.656 0.188 1.00 0.00 C ATOM 1702 CG MET A 104 112.362 5.442 1.526 1.00 0.00 C ATOM 1703 SD MET A 104 113.279 4.231 2.509 1.00 0.00 S ATOM 1704 CE MET A 104 111.851 3.494 3.340 1.00 0.00 C ATOM 0 H MET A 104 113.839 7.857 -0.753 1.00 0.00 H new ATOM 0 HA MET A 104 114.593 6.465 1.486 1.00 0.00 H new ATOM 0 HB2 MET A 104 112.503 6.353 -0.429 1.00 0.00 H new ATOM 0 HB3 MET A 104 113.125 4.716 -0.361 1.00 0.00 H new ATOM 0 HG2 MET A 104 112.291 6.386 2.067 1.00 0.00 H new ATOM 0 HG3 MET A 104 111.343 5.093 1.358 1.00 0.00 H new ATOM 0 HE1 MET A 104 112.120 2.509 3.721 1.00 0.00 H new ATOM 0 HE2 MET A 104 111.543 4.132 4.169 1.00 0.00 H new ATOM 0 HE3 MET A 104 111.028 3.397 2.632 1.00 0.00 H new ATOM 1714 N TYR A 105 115.398 4.558 -1.094 1.00 0.00 N ATOM 1715 CA TYR A 105 116.363 3.503 -1.520 1.00 0.00 C ATOM 1716 C TYR A 105 117.800 3.999 -1.332 1.00 0.00 C ATOM 1717 O TYR A 105 118.697 3.228 -1.052 1.00 0.00 O ATOM 1718 CB TYR A 105 116.102 3.170 -2.994 1.00 0.00 C ATOM 1719 CG TYR A 105 117.277 2.426 -3.592 1.00 0.00 C ATOM 1720 CD1 TYR A 105 118.466 3.106 -3.884 1.00 0.00 C ATOM 1721 CD2 TYR A 105 117.170 1.057 -3.865 1.00 0.00 C ATOM 1722 CE1 TYR A 105 119.546 2.418 -4.446 1.00 0.00 C ATOM 1723 CE2 TYR A 105 118.251 0.370 -4.427 1.00 0.00 C ATOM 1724 CZ TYR A 105 119.439 1.049 -4.717 1.00 0.00 C ATOM 1725 OH TYR A 105 120.505 0.370 -5.271 1.00 0.00 O ATOM 0 H TYR A 105 114.672 4.778 -1.776 1.00 0.00 H new ATOM 0 HA TYR A 105 116.230 2.608 -0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 105 115.200 2.564 -3.081 1.00 0.00 H new ATOM 0 HB3 TYR A 105 115.924 4.089 -3.553 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.549 4.162 -3.675 1.00 0.00 H new ATOM 0 HD2 TYR A 105 116.253 0.532 -3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 105 120.463 2.943 -4.671 1.00 0.00 H new ATOM 0 HE2 TYR A 105 118.168 -0.686 -4.637 1.00 0.00 H new ATOM 0 HH TYR A 105 120.202 -0.502 -5.600 1.00 0.00 H new ATOM 1735 N SER A 106 118.031 5.272 -1.489 1.00 0.00 N ATOM 1736 CA SER A 106 119.415 5.800 -1.319 1.00 0.00 C ATOM 1737 C SER A 106 119.907 5.500 0.099 1.00 0.00 C ATOM 1738 O SER A 106 120.998 4.999 0.296 1.00 0.00 O ATOM 1739 CB SER A 106 119.419 7.311 -1.559 1.00 0.00 C ATOM 1740 OG SER A 106 120.007 7.584 -2.824 1.00 0.00 O ATOM 0 H SER A 106 117.325 5.969 -1.727 1.00 0.00 H new ATOM 0 HA SER A 106 120.078 5.320 -2.039 1.00 0.00 H new ATOM 0 HB2 SER A 106 118.401 7.699 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.977 7.815 -0.770 1.00 0.00 H new ATOM 0 HG SER A 106 120.010 8.551 -2.982 1.00 0.00 H new ATOM 1746 N ALA A 107 119.113 5.799 1.090 1.00 0.00 N ATOM 1747 CA ALA A 107 119.535 5.531 2.493 1.00 0.00 C ATOM 1748 C ALA A 107 119.469 4.027 2.769 1.00 0.00 C ATOM 1749 O ALA A 107 120.085 3.529 3.691 1.00 0.00 O ATOM 1750 CB ALA A 107 118.606 6.270 3.458 1.00 0.00 C ATOM 0 H ALA A 107 118.189 6.218 0.988 1.00 0.00 H new ATOM 0 HA ALA A 107 120.557 5.881 2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 107 118.916 6.073 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 107 118.656 7.341 3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 107 117.583 5.923 3.315 1.00 0.00 H new ATOM 1756 N LEU A 108 118.728 3.295 1.979 1.00 0.00 N ATOM 1757 CA LEU A 108 118.633 1.825 2.207 1.00 0.00 C ATOM 1758 C LEU A 108 119.888 1.144 1.657 1.00 0.00 C ATOM 1759 O LEU A 108 120.226 0.041 2.039 1.00 0.00 O ATOM 1760 CB LEU A 108 117.400 1.265 1.489 1.00 0.00 C ATOM 1761 CG LEU A 108 116.193 1.269 2.433 1.00 0.00 C ATOM 1762 CD1 LEU A 108 115.039 0.503 1.786 1.00 0.00 C ATOM 1763 CD2 LEU A 108 116.561 0.589 3.752 1.00 0.00 C ATOM 0 H LEU A 108 118.188 3.650 1.190 1.00 0.00 H new ATOM 0 HA LEU A 108 118.546 1.633 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 108 117.182 1.864 0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 108 117.599 0.250 1.146 1.00 0.00 H new ATOM 0 HG LEU A 108 115.896 2.300 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 108 114.180 0.505 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 108 114.767 0.982 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 108 115.347 -0.525 1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 108 115.698 0.596 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 108 116.862 -0.441 3.559 1.00 0.00 H new ATOM 0 HD23 LEU A 108 117.385 1.126 4.221 1.00 0.00 H new ATOM 1775 N THR A 109 120.583 1.791 0.760 1.00 0.00 N ATOM 1776 CA THR A 109 121.813 1.178 0.186 1.00 0.00 C ATOM 1777 C THR A 109 123.030 1.616 1.003 1.00 0.00 C ATOM 1778 O THR A 109 123.995 0.889 1.135 1.00 0.00 O ATOM 1779 CB THR A 109 121.984 1.633 -1.266 1.00 0.00 C ATOM 1780 OG1 THR A 109 122.047 3.052 -1.312 1.00 0.00 O ATOM 1781 CG2 THR A 109 120.797 1.146 -2.098 1.00 0.00 C ATOM 0 H THR A 109 120.351 2.717 0.401 1.00 0.00 H new ATOM 0 HA THR A 109 121.724 0.092 0.217 1.00 0.00 H new ATOM 0 HB THR A 109 122.905 1.215 -1.672 1.00 0.00 H new ATOM 0 HG1 THR A 109 121.668 3.423 -0.488 1.00 0.00 H new ATOM 0 HG21 THR A 109 120.920 1.470 -3.131 1.00 0.00 H new ATOM 0 HG22 THR A 109 120.750 0.058 -2.062 1.00 0.00 H new ATOM 0 HG23 THR A 109 119.874 1.562 -1.694 1.00 0.00 H new ATOM 1789 N ARG A 110 122.994 2.798 1.553 1.00 0.00 N ATOM 1790 CA ARG A 110 124.150 3.278 2.360 1.00 0.00 C ATOM 1791 C ARG A 110 124.065 2.695 3.772 1.00 0.00 C ATOM 1792 O ARG A 110 123.063 2.826 4.448 1.00 0.00 O ATOM 1793 CB ARG A 110 124.120 4.806 2.437 1.00 0.00 C ATOM 1794 CG ARG A 110 122.963 5.249 3.336 1.00 0.00 C ATOM 1795 CD ARG A 110 122.828 6.770 3.280 1.00 0.00 C ATOM 1796 NE ARG A 110 124.009 7.398 3.936 1.00 0.00 N ATOM 1797 CZ ARG A 110 123.863 8.042 5.062 1.00 0.00 C ATOM 1798 NH1 ARG A 110 123.164 7.515 6.029 1.00 0.00 N ATOM 1799 NH2 ARG A 110 124.418 9.213 5.219 1.00 0.00 N ATOM 0 H ARG A 110 122.215 3.452 1.478 1.00 0.00 H new ATOM 0 HA ARG A 110 125.079 2.956 1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 110 125.065 5.179 2.832 1.00 0.00 H new ATOM 0 HB3 ARG A 110 124.002 5.229 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 110 122.035 4.779 3.011 1.00 0.00 H new ATOM 0 HG3 ARG A 110 123.141 4.927 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 110 122.755 7.101 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 110 121.912 7.083 3.780 1.00 0.00 H new ATOM 0 HE ARG A 110 124.931 7.325 3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 110 122.731 6.600 5.905 1.00 0.00 H new ATOM 0 HH12 ARG A 110 123.050 8.018 6.909 1.00 0.00 H new ATOM 0 HH21 ARG A 110 124.965 9.624 4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 110 124.305 9.717 6.098 1.00 0.00 H new ATOM 1813 N ASP A 111 125.110 2.053 4.223 1.00 0.00 N ATOM 1814 CA ASP A 111 125.093 1.461 5.591 1.00 0.00 C ATOM 1815 C ASP A 111 124.462 2.458 6.568 1.00 0.00 C ATOM 1816 O ASP A 111 124.458 3.647 6.317 1.00 0.00 O ATOM 1817 CB ASP A 111 126.528 1.154 6.027 1.00 0.00 C ATOM 1818 CG ASP A 111 127.268 2.464 6.307 1.00 0.00 C ATOM 1819 OD1 ASP A 111 126.813 3.491 5.833 1.00 0.00 O ATOM 1820 OD2 ASP A 111 128.277 2.416 6.992 1.00 0.00 O ATOM 0 H ASP A 111 125.975 1.913 3.702 1.00 0.00 H new ATOM 0 HA ASP A 111 124.510 0.540 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 111 126.522 0.529 6.920 1.00 0.00 H new ATOM 0 HB3 ASP A 111 127.044 0.592 5.248 1.00 0.00 H new ATOM 1825 N PRO A 112 123.943 1.943 7.653 1.00 0.00 N ATOM 1826 CA PRO A 112 123.952 0.497 7.950 1.00 0.00 C ATOM 1827 C PRO A 112 122.847 -0.229 7.173 1.00 0.00 C ATOM 1828 O PRO A 112 122.540 -1.373 7.441 1.00 0.00 O ATOM 1829 CB PRO A 112 123.674 0.443 9.455 1.00 0.00 C ATOM 1830 CG PRO A 112 122.966 1.771 9.816 1.00 0.00 C ATOM 1831 CD PRO A 112 123.297 2.769 8.691 1.00 0.00 C ATOM 0 HA PRO A 112 124.887 0.012 7.667 1.00 0.00 H new ATOM 0 HB2 PRO A 112 123.046 -0.412 9.703 1.00 0.00 H new ATOM 0 HB3 PRO A 112 124.601 0.332 10.018 1.00 0.00 H new ATOM 0 HG2 PRO A 112 121.889 1.625 9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 112 123.313 2.145 10.779 1.00 0.00 H new ATOM 0 HD2 PRO A 112 122.398 3.254 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 112 123.961 3.559 9.042 1.00 0.00 H new ATOM 1839 N PHE A 113 122.245 0.423 6.216 1.00 0.00 N ATOM 1840 CA PHE A 113 121.162 -0.237 5.436 1.00 0.00 C ATOM 1841 C PHE A 113 121.776 -1.152 4.374 1.00 0.00 C ATOM 1842 O PHE A 113 122.483 -0.709 3.491 1.00 0.00 O ATOM 1843 CB PHE A 113 120.306 0.828 4.753 1.00 0.00 C ATOM 1844 CG PHE A 113 119.627 1.677 5.800 1.00 0.00 C ATOM 1845 CD1 PHE A 113 120.310 2.749 6.384 1.00 0.00 C ATOM 1846 CD2 PHE A 113 118.315 1.390 6.188 1.00 0.00 C ATOM 1847 CE1 PHE A 113 119.681 3.534 7.355 1.00 0.00 C ATOM 1848 CE2 PHE A 113 117.685 2.174 7.159 1.00 0.00 C ATOM 1849 CZ PHE A 113 118.367 3.246 7.743 1.00 0.00 C ATOM 0 H PHE A 113 122.456 1.382 5.942 1.00 0.00 H new ATOM 0 HA PHE A 113 120.542 -0.829 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 113 120.927 1.452 4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 113 119.561 0.355 4.114 1.00 0.00 H new ATOM 0 HD1 PHE A 113 121.324 2.970 6.085 1.00 0.00 H new ATOM 0 HD2 PHE A 113 117.788 0.562 5.737 1.00 0.00 H new ATOM 0 HE1 PHE A 113 120.208 4.362 7.805 1.00 0.00 H new ATOM 0 HE2 PHE A 113 116.671 1.952 7.458 1.00 0.00 H new ATOM 0 HZ PHE A 113 117.880 3.852 8.493 1.00 0.00 H new ATOM 1859 N SER A 114 121.509 -2.427 4.453 1.00 0.00 N ATOM 1860 CA SER A 114 122.076 -3.370 3.448 1.00 0.00 C ATOM 1861 C SER A 114 121.102 -3.514 2.276 1.00 0.00 C ATOM 1862 O SER A 114 119.973 -3.069 2.337 1.00 0.00 O ATOM 1863 CB SER A 114 122.298 -4.736 4.097 1.00 0.00 C ATOM 1864 OG SER A 114 123.691 -4.945 4.286 1.00 0.00 O ATOM 0 H SER A 114 120.923 -2.856 5.169 1.00 0.00 H new ATOM 0 HA SER A 114 123.028 -2.982 3.084 1.00 0.00 H new ATOM 0 HB2 SER A 114 121.778 -4.786 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 114 121.883 -5.523 3.467 1.00 0.00 H new ATOM 0 HG SER A 114 123.837 -5.819 4.704 1.00 0.00 H new ATOM 1870 N VAL A 115 121.528 -4.135 1.210 1.00 0.00 N ATOM 1871 CA VAL A 115 120.625 -4.310 0.038 1.00 0.00 C ATOM 1872 C VAL A 115 120.357 -5.800 -0.177 1.00 0.00 C ATOM 1873 O VAL A 115 121.271 -6.599 -0.260 1.00 0.00 O ATOM 1874 CB VAL A 115 121.290 -3.727 -1.212 1.00 0.00 C ATOM 1875 CG1 VAL A 115 120.315 -3.801 -2.388 1.00 0.00 C ATOM 1876 CG2 VAL A 115 121.668 -2.266 -0.956 1.00 0.00 C ATOM 0 H VAL A 115 122.463 -4.529 1.100 1.00 0.00 H new ATOM 0 HA VAL A 115 119.684 -3.792 0.223 1.00 0.00 H new ATOM 0 HB VAL A 115 122.188 -4.299 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 115 120.787 -3.386 -3.279 1.00 0.00 H new ATOM 0 HG12 VAL A 115 120.044 -4.841 -2.571 1.00 0.00 H new ATOM 0 HG13 VAL A 115 119.418 -3.229 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 115 122.141 -1.851 -1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 115 120.770 -1.694 -0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 115 122.362 -2.211 -0.117 1.00 0.00 H new ATOM 1886 N ILE A 116 119.114 -6.185 -0.265 1.00 0.00 N ATOM 1887 CA ILE A 116 118.795 -7.626 -0.473 1.00 0.00 C ATOM 1888 C ILE A 116 118.767 -7.935 -1.971 1.00 0.00 C ATOM 1889 O ILE A 116 119.652 -8.581 -2.496 1.00 0.00 O ATOM 1890 CB ILE A 116 117.429 -7.942 0.136 1.00 0.00 C ATOM 1891 CG1 ILE A 116 117.437 -7.575 1.622 1.00 0.00 C ATOM 1892 CG2 ILE A 116 117.135 -9.436 -0.017 1.00 0.00 C ATOM 1893 CD1 ILE A 116 116.020 -7.694 2.182 1.00 0.00 C ATOM 0 H ILE A 116 118.306 -5.565 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 116 119.558 -8.236 0.010 1.00 0.00 H new ATOM 0 HB ILE A 116 116.660 -7.365 -0.378 1.00 0.00 H new ATOM 0 HG12 ILE A 116 118.112 -8.235 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 116 117.808 -6.559 1.755 1.00 0.00 H new ATOM 0 HG21 ILE A 116 116.161 -9.661 0.417 1.00 0.00 H new ATOM 0 HG22 ILE A 116 117.131 -9.700 -1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 116 117.904 -10.013 0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 116 116.024 -7.433 3.240 1.00 0.00 H new ATOM 0 HD12 ILE A 116 115.358 -7.016 1.643 1.00 0.00 H new ATOM 0 HD13 ILE A 116 115.666 -8.718 2.062 1.00 0.00 H new ATOM 1905 N GLU A 117 117.756 -7.482 -2.663 1.00 0.00 N ATOM 1906 CA GLU A 117 117.683 -7.760 -4.127 1.00 0.00 C ATOM 1907 C GLU A 117 116.735 -6.766 -4.800 1.00 0.00 C ATOM 1908 O GLU A 117 115.804 -6.272 -4.194 1.00 0.00 O ATOM 1909 CB GLU A 117 117.171 -9.185 -4.353 1.00 0.00 C ATOM 1910 CG GLU A 117 117.484 -9.618 -5.786 1.00 0.00 C ATOM 1911 CD GLU A 117 118.341 -10.886 -5.763 1.00 0.00 C ATOM 1912 OE1 GLU A 117 119.452 -10.818 -5.263 1.00 0.00 O ATOM 1913 OE2 GLU A 117 117.872 -11.903 -6.245 1.00 0.00 O ATOM 0 H GLU A 117 116.983 -6.936 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 117 118.678 -7.656 -4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 117 117.640 -9.868 -3.645 1.00 0.00 H new ATOM 0 HB3 GLU A 117 116.097 -9.229 -4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 117 116.558 -9.802 -6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 117 118.010 -8.821 -6.311 1.00 0.00 H new ATOM 1920 N GLU A 118 116.962 -6.475 -6.051 1.00 0.00 N ATOM 1921 CA GLU A 118 116.077 -5.517 -6.771 1.00 0.00 C ATOM 1922 C GLU A 118 115.705 -6.099 -8.136 1.00 0.00 C ATOM 1923 O GLU A 118 116.285 -7.068 -8.586 1.00 0.00 O ATOM 1924 CB GLU A 118 116.812 -4.191 -6.967 1.00 0.00 C ATOM 1925 CG GLU A 118 117.185 -3.607 -5.603 1.00 0.00 C ATOM 1926 CD GLU A 118 118.680 -3.279 -5.579 1.00 0.00 C ATOM 1927 OE1 GLU A 118 119.069 -2.330 -6.241 1.00 0.00 O ATOM 1928 OE2 GLU A 118 119.410 -3.982 -4.901 1.00 0.00 O ATOM 0 H GLU A 118 117.725 -6.861 -6.607 1.00 0.00 H new ATOM 0 HA GLU A 118 115.173 -5.347 -6.187 1.00 0.00 H new ATOM 0 HB2 GLU A 118 117.710 -4.346 -7.566 1.00 0.00 H new ATOM 0 HB3 GLU A 118 116.181 -3.491 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 118 116.601 -2.707 -5.409 1.00 0.00 H new ATOM 0 HG3 GLU A 118 116.945 -4.319 -4.813 1.00 0.00 H new ATOM 1935 N SER A 119 114.746 -5.517 -8.803 1.00 0.00 N ATOM 1936 CA SER A 119 114.343 -6.041 -10.138 1.00 0.00 C ATOM 1937 C SER A 119 115.164 -5.346 -11.226 1.00 0.00 C ATOM 1938 O SER A 119 115.512 -5.939 -12.228 1.00 0.00 O ATOM 1939 CB SER A 119 112.857 -5.767 -10.371 1.00 0.00 C ATOM 1940 OG SER A 119 112.479 -4.594 -9.662 1.00 0.00 O ATOM 0 H SER A 119 114.225 -4.702 -8.481 1.00 0.00 H new ATOM 0 HA SER A 119 114.523 -7.115 -10.174 1.00 0.00 H new ATOM 0 HB2 SER A 119 112.661 -5.641 -11.436 1.00 0.00 H new ATOM 0 HB3 SER A 119 112.262 -6.616 -10.036 1.00 0.00 H new ATOM 0 HG SER A 119 112.041 -3.968 -10.275 1.00 0.00 H new ATOM 1946 N LEU A 120 115.476 -4.092 -11.039 1.00 0.00 N ATOM 1947 CA LEU A 120 116.272 -3.361 -12.064 1.00 0.00 C ATOM 1948 C LEU A 120 117.754 -3.707 -11.905 1.00 0.00 C ATOM 1949 O LEU A 120 118.208 -4.000 -10.816 1.00 0.00 O ATOM 1950 CB LEU A 120 116.081 -1.855 -11.880 1.00 0.00 C ATOM 1951 CG LEU A 120 114.879 -1.385 -12.700 1.00 0.00 C ATOM 1952 CD1 LEU A 120 114.440 -0.001 -12.219 1.00 0.00 C ATOM 1953 CD2 LEU A 120 115.270 -1.308 -14.178 1.00 0.00 C ATOM 0 H LEU A 120 115.214 -3.543 -10.220 1.00 0.00 H new ATOM 0 HA LEU A 120 115.935 -3.653 -13.059 1.00 0.00 H new ATOM 0 HB2 LEU A 120 115.927 -1.624 -10.826 1.00 0.00 H new ATOM 0 HB3 LEU A 120 116.979 -1.323 -12.195 1.00 0.00 H new ATOM 0 HG LEU A 120 114.057 -2.090 -12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 120 113.583 0.333 -12.804 1.00 0.00 H new ATOM 0 HD12 LEU A 120 114.162 -0.053 -11.166 1.00 0.00 H new ATOM 0 HD13 LEU A 120 115.261 0.705 -12.343 1.00 0.00 H new ATOM 0 HD21 LEU A 120 114.414 -0.973 -14.764 1.00 0.00 H new ATOM 0 HD22 LEU A 120 116.092 -0.603 -14.301 1.00 0.00 H new ATOM 0 HD23 LEU A 120 115.583 -2.293 -14.523 1.00 0.00 H new ATOM 1965 N PRO A 121 118.467 -3.661 -13.002 1.00 0.00 N ATOM 1966 CA PRO A 121 119.908 -3.962 -13.027 1.00 0.00 C ATOM 1967 C PRO A 121 120.711 -2.769 -12.501 1.00 0.00 C ATOM 1968 O PRO A 121 121.816 -2.915 -12.017 1.00 0.00 O ATOM 1969 CB PRO A 121 120.198 -4.206 -14.510 1.00 0.00 C ATOM 1970 CG PRO A 121 119.075 -3.489 -15.297 1.00 0.00 C ATOM 1971 CD PRO A 121 117.900 -3.305 -14.319 1.00 0.00 C ATOM 0 HA PRO A 121 120.181 -4.811 -12.400 1.00 0.00 H new ATOM 0 HB2 PRO A 121 121.177 -3.813 -14.784 1.00 0.00 H new ATOM 0 HB3 PRO A 121 120.209 -5.273 -14.733 1.00 0.00 H new ATOM 0 HG2 PRO A 121 119.420 -2.526 -15.674 1.00 0.00 H new ATOM 0 HG3 PRO A 121 118.771 -4.079 -16.162 1.00 0.00 H new ATOM 0 HD2 PRO A 121 117.530 -2.280 -14.329 1.00 0.00 H new ATOM 0 HD3 PRO A 121 117.061 -3.950 -14.579 1.00 0.00 H new ATOM 1979 N GLY A 122 120.162 -1.588 -12.593 1.00 0.00 N ATOM 1980 CA GLY A 122 120.892 -0.385 -12.098 1.00 0.00 C ATOM 1981 C GLY A 122 120.046 0.326 -11.040 1.00 0.00 C ATOM 1982 O GLY A 122 120.216 1.501 -10.783 1.00 0.00 O ATOM 0 H GLY A 122 119.240 -1.404 -12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 122 121.852 -0.678 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 122 121.102 0.292 -12.926 1.00 0.00 H new ATOM 1986 N GLY A 123 119.134 -0.377 -10.426 1.00 0.00 N ATOM 1987 CA GLY A 123 118.277 0.256 -9.386 1.00 0.00 C ATOM 1988 C GLY A 123 117.386 1.319 -10.030 1.00 0.00 C ATOM 1989 O GLY A 123 117.112 1.279 -11.213 1.00 0.00 O ATOM 0 H GLY A 123 118.946 -1.364 -10.601 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.662 -0.500 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.899 0.708 -8.614 1.00 0.00 H new ATOM 1993 N LEU A 124 116.929 2.268 -9.261 1.00 0.00 N ATOM 1994 CA LEU A 124 116.052 3.331 -9.828 1.00 0.00 C ATOM 1995 C LEU A 124 116.914 4.471 -10.376 1.00 0.00 C ATOM 1996 O LEU A 124 118.063 4.622 -10.013 1.00 0.00 O ATOM 1997 CB LEU A 124 115.134 3.871 -8.728 1.00 0.00 C ATOM 1998 CG LEU A 124 113.831 3.069 -8.712 1.00 0.00 C ATOM 1999 CD1 LEU A 124 113.150 3.224 -7.351 1.00 0.00 C ATOM 2000 CD2 LEU A 124 112.899 3.593 -9.805 1.00 0.00 C ATOM 0 H LEU A 124 117.125 2.354 -8.264 1.00 0.00 H new ATOM 0 HA LEU A 124 115.451 2.913 -10.635 1.00 0.00 H new ATOM 0 HB2 LEU A 124 115.629 3.801 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 124 114.922 4.926 -8.902 1.00 0.00 H new ATOM 0 HG LEU A 124 114.052 2.017 -8.891 1.00 0.00 H new ATOM 0 HD11 LEU A 124 112.222 2.652 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 124 113.812 2.854 -6.568 1.00 0.00 H new ATOM 0 HD13 LEU A 124 112.930 4.276 -7.172 1.00 0.00 H new ATOM 0 HD21 LEU A 124 111.970 3.023 -9.795 1.00 0.00 H new ATOM 0 HD22 LEU A 124 112.681 4.645 -9.623 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.381 3.485 -10.777 1.00 0.00 H new ATOM 2012 N LYS A 125 116.366 5.276 -11.247 1.00 0.00 N ATOM 2013 CA LYS A 125 117.152 6.409 -11.817 1.00 0.00 C ATOM 2014 C LYS A 125 116.199 7.420 -12.461 1.00 0.00 C ATOM 2015 O LYS A 125 115.080 7.596 -12.022 1.00 0.00 O ATOM 2016 CB LYS A 125 118.125 5.877 -12.871 1.00 0.00 C ATOM 2017 CG LYS A 125 119.424 6.687 -12.828 1.00 0.00 C ATOM 2018 CD LYS A 125 120.020 6.628 -11.421 1.00 0.00 C ATOM 2019 CE LYS A 125 119.762 7.955 -10.702 1.00 0.00 C ATOM 2020 NZ LYS A 125 120.881 8.899 -10.984 1.00 0.00 N ATOM 0 H LYS A 125 115.408 5.198 -11.588 1.00 0.00 H new ATOM 0 HA LYS A 125 117.714 6.898 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 125 118.336 4.823 -12.687 1.00 0.00 H new ATOM 0 HB3 LYS A 125 117.676 5.944 -13.862 1.00 0.00 H new ATOM 0 HG2 LYS A 125 120.136 6.290 -13.552 1.00 0.00 H new ATOM 0 HG3 LYS A 125 119.228 7.722 -13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 125 119.575 5.806 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A 125 121.091 6.434 -11.476 1.00 0.00 H new ATOM 0 HE2 LYS A 125 118.817 8.384 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS A 125 119.675 7.788 -9.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 121.184 9.352 -10.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 121.680 8.377 -11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 120.560 9.627 -11.654 1.00 0.00 H new ATOM 2034 N GLU A 126 116.630 8.086 -13.499 1.00 0.00 N ATOM 2035 CA GLU A 126 115.745 9.084 -14.165 1.00 0.00 C ATOM 2036 C GLU A 126 114.821 8.367 -15.149 1.00 0.00 C ATOM 2037 O GLU A 126 113.711 8.795 -15.398 1.00 0.00 O ATOM 2038 CB GLU A 126 116.599 10.105 -14.917 1.00 0.00 C ATOM 2039 CG GLU A 126 116.726 11.380 -14.081 1.00 0.00 C ATOM 2040 CD GLU A 126 116.000 12.527 -14.785 1.00 0.00 C ATOM 2041 OE1 GLU A 126 115.250 12.251 -15.706 1.00 0.00 O ATOM 2042 OE2 GLU A 126 116.207 13.663 -14.390 1.00 0.00 O ATOM 0 H GLU A 126 117.556 7.982 -13.914 1.00 0.00 H new ATOM 0 HA GLU A 126 115.147 9.598 -13.413 1.00 0.00 H new ATOM 0 HB2 GLU A 126 117.587 9.690 -15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 126 116.146 10.334 -15.882 1.00 0.00 H new ATOM 0 HG2 GLU A 126 116.302 11.221 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 126 117.777 11.632 -13.941 1.00 0.00 H new ATOM 2049 N HIS A 127 115.267 7.277 -15.709 1.00 0.00 N ATOM 2050 CA HIS A 127 114.412 6.530 -16.675 1.00 0.00 C ATOM 2051 C HIS A 127 113.277 5.832 -15.919 1.00 0.00 C ATOM 2052 O HIS A 127 112.429 5.194 -16.510 1.00 0.00 O ATOM 2053 CB HIS A 127 115.259 5.484 -17.404 1.00 0.00 C ATOM 2054 CG HIS A 127 116.125 4.758 -16.414 1.00 0.00 C ATOM 2055 ND1 HIS A 127 115.598 4.102 -15.312 1.00 0.00 N ATOM 2056 CD2 HIS A 127 117.484 4.572 -16.346 1.00 0.00 C ATOM 2057 CE1 HIS A 127 116.626 3.559 -14.634 1.00 0.00 C ATOM 2058 NE2 HIS A 127 117.797 3.815 -15.221 1.00 0.00 N ATOM 0 H HIS A 127 116.187 6.871 -15.540 1.00 0.00 H new ATOM 0 HA HIS A 127 113.991 7.226 -17.401 1.00 0.00 H new ATOM 0 HB2 HIS A 127 114.613 4.777 -17.925 1.00 0.00 H new ATOM 0 HB3 HIS A 127 115.879 5.966 -18.160 1.00 0.00 H new ATOM 0 HD2 HIS A 127 118.201 4.955 -17.057 1.00 0.00 H new ATOM 0 HE1 HIS A 127 116.517 2.986 -13.725 1.00 0.00 H new ATOM 0 HE2 HIS A 127 118.723 3.519 -14.911 1.00 0.00 H new ATOM 2066 N ASP A 128 113.254 5.949 -14.618 1.00 0.00 N ATOM 2067 CA ASP A 128 112.173 5.293 -13.830 1.00 0.00 C ATOM 2068 C ASP A 128 111.340 6.360 -13.119 1.00 0.00 C ATOM 2069 O ASP A 128 110.128 6.287 -13.072 1.00 0.00 O ATOM 2070 CB ASP A 128 112.795 4.362 -12.789 1.00 0.00 C ATOM 2071 CG ASP A 128 112.759 2.922 -13.301 1.00 0.00 C ATOM 2072 OD1 ASP A 128 112.969 2.729 -14.488 1.00 0.00 O ATOM 2073 OD2 ASP A 128 112.521 2.034 -12.498 1.00 0.00 O ATOM 0 H ASP A 128 113.937 6.470 -14.068 1.00 0.00 H new ATOM 0 HA ASP A 128 111.534 4.718 -14.501 1.00 0.00 H new ATOM 0 HB2 ASP A 128 113.824 4.661 -12.587 1.00 0.00 H new ATOM 0 HB3 ASP A 128 112.251 4.437 -11.848 1.00 0.00 H new ATOM 2078 N PHE A 129 111.982 7.351 -12.565 1.00 0.00 N ATOM 2079 CA PHE A 129 111.228 8.423 -11.856 1.00 0.00 C ATOM 2080 C PHE A 129 110.657 9.406 -12.883 1.00 0.00 C ATOM 2081 O PHE A 129 110.669 9.152 -14.071 1.00 0.00 O ATOM 2082 CB PHE A 129 112.168 9.170 -10.907 1.00 0.00 C ATOM 2083 CG PHE A 129 112.661 8.230 -9.830 1.00 0.00 C ATOM 2084 CD1 PHE A 129 111.745 7.512 -9.049 1.00 0.00 C ATOM 2085 CD2 PHE A 129 114.036 8.079 -9.609 1.00 0.00 C ATOM 2086 CE1 PHE A 129 112.205 6.648 -8.051 1.00 0.00 C ATOM 2087 CE2 PHE A 129 114.494 7.216 -8.610 1.00 0.00 C ATOM 2088 CZ PHE A 129 113.580 6.500 -7.831 1.00 0.00 C ATOM 0 H PHE A 129 112.996 7.465 -12.572 1.00 0.00 H new ATOM 0 HA PHE A 129 110.415 7.977 -11.284 1.00 0.00 H new ATOM 0 HB2 PHE A 129 113.013 9.576 -11.463 1.00 0.00 H new ATOM 0 HB3 PHE A 129 111.648 10.015 -10.455 1.00 0.00 H new ATOM 0 HD1 PHE A 129 110.684 7.626 -9.218 1.00 0.00 H new ATOM 0 HD2 PHE A 129 114.743 8.630 -10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 129 111.500 6.094 -7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 129 115.554 7.102 -8.440 1.00 0.00 H new ATOM 0 HZ PHE A 129 113.935 5.833 -7.059 1.00 0.00 H new ATOM 2098 N ASN A 130 110.156 10.525 -12.435 1.00 0.00 N ATOM 2099 CA ASN A 130 109.583 11.519 -13.387 1.00 0.00 C ATOM 2100 C ASN A 130 110.692 12.460 -13.872 1.00 0.00 C ATOM 2101 O ASN A 130 111.644 12.711 -13.161 1.00 0.00 O ATOM 2102 CB ASN A 130 108.497 12.335 -12.683 1.00 0.00 C ATOM 2103 CG ASN A 130 107.121 11.774 -13.045 1.00 0.00 C ATOM 2104 OD1 ASN A 130 106.985 10.601 -13.328 1.00 0.00 O ATOM 2105 ND2 ASN A 130 106.087 12.570 -13.047 1.00 0.00 N ATOM 0 H ASN A 130 110.119 10.794 -11.452 1.00 0.00 H new ATOM 0 HA ASN A 130 109.150 10.996 -14.239 1.00 0.00 H new ATOM 0 HB2 ASN A 130 108.643 12.300 -11.603 1.00 0.00 H new ATOM 0 HB3 ASN A 130 108.564 13.382 -12.980 1.00 0.00 H new ATOM 0 HD21 ASN A 130 105.164 12.207 -13.286 1.00 0.00 H new ATOM 0 HD22 ASN A 130 106.201 13.555 -12.809 1.00 0.00 H new ATOM 2112 N PRO A 131 110.529 12.954 -15.074 1.00 0.00 N ATOM 2113 CA PRO A 131 111.498 13.875 -15.693 1.00 0.00 C ATOM 2114 C PRO A 131 111.317 15.292 -15.139 1.00 0.00 C ATOM 2115 O PRO A 131 110.217 15.801 -15.054 1.00 0.00 O ATOM 2116 CB PRO A 131 111.142 13.822 -17.181 1.00 0.00 C ATOM 2117 CG PRO A 131 109.671 13.344 -17.261 1.00 0.00 C ATOM 2118 CD PRO A 131 109.366 12.636 -15.928 1.00 0.00 C ATOM 0 HA PRO A 131 112.535 13.602 -15.497 1.00 0.00 H new ATOM 0 HB2 PRO A 131 111.258 14.802 -17.643 1.00 0.00 H new ATOM 0 HB3 PRO A 131 111.802 13.138 -17.714 1.00 0.00 H new ATOM 0 HG2 PRO A 131 108.997 14.187 -17.415 1.00 0.00 H new ATOM 0 HG3 PRO A 131 109.529 12.665 -18.102 1.00 0.00 H new ATOM 0 HD2 PRO A 131 108.437 12.999 -15.488 1.00 0.00 H new ATOM 0 HD3 PRO A 131 109.255 11.560 -16.065 1.00 0.00 H new ATOM 2126 N GLU A 132 112.390 15.934 -14.763 1.00 0.00 N ATOM 2127 CA GLU A 132 112.278 17.316 -14.217 1.00 0.00 C ATOM 2128 C GLU A 132 111.194 17.356 -13.138 1.00 0.00 C ATOM 2129 O GLU A 132 110.055 17.685 -13.402 1.00 0.00 O ATOM 2130 CB GLU A 132 111.906 18.281 -15.346 1.00 0.00 C ATOM 2131 CG GLU A 132 113.010 19.325 -15.514 1.00 0.00 C ATOM 2132 CD GLU A 132 112.982 19.873 -16.941 1.00 0.00 C ATOM 2133 OE1 GLU A 132 112.050 19.550 -17.660 1.00 0.00 O ATOM 2134 OE2 GLU A 132 113.891 20.607 -17.292 1.00 0.00 O ATOM 0 H GLU A 132 113.338 15.561 -14.810 1.00 0.00 H new ATOM 0 HA GLU A 132 113.233 17.611 -13.783 1.00 0.00 H new ATOM 0 HB2 GLU A 132 111.767 17.731 -16.277 1.00 0.00 H new ATOM 0 HB3 GLU A 132 110.959 18.772 -15.121 1.00 0.00 H new ATOM 0 HG2 GLU A 132 112.870 20.136 -14.799 1.00 0.00 H new ATOM 0 HG3 GLU A 132 113.982 18.879 -15.304 1.00 0.00 H new ATOM 2141 N SER A 133 111.539 17.023 -11.924 1.00 0.00 N ATOM 2142 CA SER A 133 110.527 17.044 -10.831 1.00 0.00 C ATOM 2143 C SER A 133 111.190 17.500 -9.530 1.00 0.00 C ATOM 2144 O SER A 133 110.767 17.144 -8.449 1.00 0.00 O ATOM 2145 CB SER A 133 109.949 15.641 -10.643 1.00 0.00 C ATOM 2146 OG SER A 133 108.797 15.715 -9.814 1.00 0.00 O ATOM 0 H SER A 133 112.477 16.738 -11.642 1.00 0.00 H new ATOM 0 HA SER A 133 109.726 17.735 -11.092 1.00 0.00 H new ATOM 0 HB2 SER A 133 109.688 15.210 -11.610 1.00 0.00 H new ATOM 0 HB3 SER A 133 110.694 14.986 -10.192 1.00 0.00 H new ATOM 0 HG SER A 133 109.019 16.193 -8.987 1.00 0.00 H new ATOM 2152 N SER A 134 112.227 18.286 -9.624 1.00 0.00 N ATOM 2153 CA SER A 134 112.915 18.765 -8.391 1.00 0.00 C ATOM 2154 C SER A 134 112.231 20.036 -7.886 1.00 0.00 C ATOM 2155 O SER A 134 111.471 20.617 -8.643 1.00 0.00 O ATOM 2156 CB SER A 134 114.382 19.064 -8.706 1.00 0.00 C ATOM 2157 OG SER A 134 114.463 19.751 -9.949 1.00 0.00 O ATOM 2158 OXT SER A 134 112.480 20.408 -6.752 1.00 0.00 O ATOM 0 H SER A 134 112.628 18.618 -10.501 1.00 0.00 H new ATOM 0 HA SER A 134 112.860 17.994 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 134 114.821 19.670 -7.913 1.00 0.00 H new ATOM 0 HB3 SER A 134 114.953 18.137 -8.752 1.00 0.00 H new ATOM 0 HG SER A 134 115.401 19.946 -10.154 1.00 0.00 H new TER 2164 SER A 134