USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 809 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 101 GLN :FLIP amide:sc= -0.57 F(o=-6.3!,f=-1.4) USER MOD Set 1.2: A 102 ASN : amide:sc= -0.804 K(o=-1.4,f=-5.6!) USER MOD Set 2.1: A 32 THR OG1 : rot -149:sc= 0.194 USER MOD Set 2.2: A 82 SER OG : rot -6:sc= -1.05! USER MOD Set 2.3: A 84 ASN : amide:sc= -6.99! C(o=-7.8!,f=-8.6!) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= -0.0119 USER MOD Set 3.2: A 79 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-10!) USER MOD Set 4.1: A 8 SER OG : rot -176:sc= 0.389 USER MOD Set 4.2: A 99 THR OG1 : rot -136:sc= 0.435 USER MOD Single : A 1 ASP N :NH3+ -163:sc= -0.133 (180deg=-0.853!) USER MOD Single : A 9 CYS SG : rot 70:sc= -1.82 USER MOD Single : A 12 ASN :FLIP amide:sc=-0.00095 F(o=-0.72,f=-0.00095) USER MOD Single : A 14 LYS NZ :NH3+ -142:sc= -3.54! (180deg=-4.79!) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.016) USER MOD Single : A 20 ASN : amide:sc= -2.71! C(o=-2.7!,f=-5.3!) USER MOD Single : A 23 GLN : amide:sc= 0.881 K(o=0.88,f=-0.15) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.254! USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 30 LYS NZ :NH3+ -122:sc= -1.02 (180deg=-1.21) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.403 (180deg=-1.17) USER MOD Single : A 36 TYR OH : rot 175:sc= -3.93! USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00166 USER MOD Single : A 41 GLN :FLIP amide:sc= 0.0713 F(o=-1.9!,f=0.071) USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -0.314 (180deg=-1.5!) USER MOD Single : A 57 THR OG1 : rot -150:sc= 0.0305 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A 64 GLN : amide:sc= -0.0456 X(o=-0.046,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.759 USER MOD Single : A 83 SER OG : rot -105:sc= -1.44! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 ASN :FLIP amide:sc= -1.28 F(o=-6.5!,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.776 -13.138 -4.900 1.00 0.00 N ATOM 2 CA ASP A 1 11.159 -12.678 -6.166 1.00 0.00 C ATOM 3 C ASP A 1 9.980 -11.746 -5.901 1.00 0.00 C ATOM 4 O ASP A 1 9.830 -11.216 -4.818 1.00 0.00 O ATOM 5 CB ASP A 1 10.654 -13.911 -6.937 1.00 0.00 C ATOM 6 CG ASP A 1 11.507 -15.127 -6.568 1.00 0.00 C ATOM 7 OD1 ASP A 1 12.561 -15.250 -7.170 1.00 0.00 O ATOM 8 OD2 ASP A 1 11.058 -15.864 -5.705 1.00 0.00 O ATOM 0 H1 ASP A 1 12.723 -13.521 -5.095 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.855 -12.337 -4.241 1.00 0.00 H new ATOM 0 H3 ASP A 1 11.183 -13.879 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 1 11.906 -12.131 -6.742 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.608 -14.101 -6.696 1.00 0.00 H new ATOM 0 HB3 ASP A 1 10.706 -13.729 -8.010 1.00 0.00 H new ATOM 13 N TRP A 2 9.169 -11.566 -6.904 1.00 0.00 N ATOM 14 CA TRP A 2 7.986 -10.677 -6.758 1.00 0.00 C ATOM 15 C TRP A 2 6.829 -11.376 -6.046 1.00 0.00 C ATOM 16 O TRP A 2 6.111 -12.152 -6.645 1.00 0.00 O ATOM 17 CB TRP A 2 7.510 -10.303 -8.170 1.00 0.00 C ATOM 18 CG TRP A 2 8.223 -9.041 -8.673 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.193 -8.398 -8.030 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.892 -8.412 -9.770 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.421 -7.320 -8.806 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.628 -7.258 -9.937 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.956 -8.776 -10.718 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.418 -6.465 -11.047 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.754 -7.984 -11.827 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.487 -6.829 -11.990 1.00 0.00 C ATOM 0 H TRP A 2 9.275 -11.998 -7.822 1.00 0.00 H new ATOM 0 HA TRP A 2 8.277 -9.808 -6.168 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.701 -11.130 -8.853 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.433 -10.138 -8.163 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.681 -8.674 -7.107 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.118 -6.611 -8.579 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.382 -9.682 -10.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.987 -5.556 -11.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.022 -8.268 -12.568 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.330 -6.209 -12.860 1.00 0.00 H new ATOM 37 N VAL A 3 6.664 -11.086 -4.777 1.00 0.00 N ATOM 38 CA VAL A 3 5.552 -11.729 -4.028 1.00 0.00 C ATOM 39 C VAL A 3 5.120 -10.870 -2.841 1.00 0.00 C ATOM 40 O VAL A 3 5.577 -11.062 -1.731 1.00 0.00 O ATOM 41 CB VAL A 3 6.046 -13.082 -3.490 1.00 0.00 C ATOM 42 CG1 VAL A 3 4.937 -13.721 -2.651 1.00 0.00 C ATOM 43 CG2 VAL A 3 6.383 -14.002 -4.663 1.00 0.00 C ATOM 0 H VAL A 3 7.244 -10.442 -4.239 1.00 0.00 H new ATOM 0 HA VAL A 3 4.703 -11.853 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 3 6.935 -12.932 -2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.280 -14.681 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.687 -13.064 -1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.054 -13.873 -3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.733 -14.962 -4.284 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.492 -14.156 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.164 -13.545 -5.271 1.00 0.00 H new ATOM 53 N ILE A 4 4.242 -9.938 -3.100 1.00 0.00 N ATOM 54 CA ILE A 4 3.760 -9.059 -2.012 1.00 0.00 C ATOM 55 C ILE A 4 2.473 -8.324 -2.433 1.00 0.00 C ATOM 56 O ILE A 4 2.526 -7.231 -2.961 1.00 0.00 O ATOM 57 CB ILE A 4 4.855 -8.042 -1.725 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.413 -7.101 -0.609 1.00 0.00 C ATOM 59 CG2 ILE A 4 5.128 -7.225 -3.002 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.641 -6.374 -0.053 1.00 0.00 C ATOM 0 H ILE A 4 3.842 -9.753 -4.020 1.00 0.00 H new ATOM 0 HA ILE A 4 3.533 -9.654 -1.127 1.00 0.00 H new ATOM 0 HB ILE A 4 5.760 -8.563 -1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.689 -6.380 -0.989 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.918 -7.663 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.912 -6.493 -2.805 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.448 -7.894 -3.801 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.217 -6.708 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.334 -5.699 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.348 -7.104 0.341 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.116 -5.801 -0.849 1.00 0.00 H new ATOM 72 N PRO A 5 1.331 -8.945 -2.184 1.00 0.00 N ATOM 73 CA PRO A 5 0.039 -8.346 -2.542 1.00 0.00 C ATOM 74 C PRO A 5 -0.239 -6.987 -1.846 1.00 0.00 C ATOM 75 O PRO A 5 -0.740 -6.065 -2.466 1.00 0.00 O ATOM 76 CB PRO A 5 -1.015 -9.387 -2.100 1.00 0.00 C ATOM 77 CG PRO A 5 -0.244 -10.643 -1.579 1.00 0.00 C ATOM 78 CD PRO A 5 1.255 -10.293 -1.585 1.00 0.00 C ATOM 0 HA PRO A 5 0.018 -8.122 -3.608 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.654 -8.977 -1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.664 -9.654 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.573 -10.907 -0.574 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.440 -11.506 -2.215 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.666 -10.300 -0.575 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.827 -11.016 -2.167 1.00 0.00 H new ATOM 86 N PRO A 6 0.085 -6.895 -0.569 1.00 0.00 N ATOM 87 CA PRO A 6 -0.133 -5.661 0.192 1.00 0.00 C ATOM 88 C PRO A 6 0.852 -4.557 -0.199 1.00 0.00 C ATOM 89 O PRO A 6 1.997 -4.822 -0.509 1.00 0.00 O ATOM 90 CB PRO A 6 0.109 -6.063 1.662 1.00 0.00 C ATOM 91 CG PRO A 6 0.630 -7.534 1.655 1.00 0.00 C ATOM 92 CD PRO A 6 0.663 -7.999 0.190 1.00 0.00 C ATOM 0 HA PRO A 6 -1.130 -5.261 0.005 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.837 -5.399 2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.812 -5.983 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.624 -7.592 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.022 -8.176 2.248 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.682 -8.210 -0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.089 -8.915 0.054 1.00 0.00 H new ATOM 100 N ILE A 7 0.378 -3.333 -0.174 1.00 0.00 N ATOM 101 CA ILE A 7 1.257 -2.183 -0.537 1.00 0.00 C ATOM 102 C ILE A 7 1.007 -1.010 0.408 1.00 0.00 C ATOM 103 O ILE A 7 0.091 -1.044 1.201 1.00 0.00 O ATOM 104 CB ILE A 7 0.932 -1.741 -1.970 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.021 -2.930 -2.928 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.966 -0.688 -2.400 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.491 -3.233 -3.244 1.00 0.00 C ATOM 0 H ILE A 7 -0.578 -3.085 0.082 1.00 0.00 H new ATOM 0 HA ILE A 7 2.299 -2.492 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.078 -1.333 -2.000 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.548 -3.805 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.480 -2.709 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.751 -0.361 -3.417 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.916 0.167 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.965 -1.122 -2.362 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.549 -4.081 -3.927 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.951 -2.361 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.019 -3.473 -2.321 1.00 0.00 H new ATOM 119 N SER A 8 1.840 0.006 0.313 1.00 0.00 N ATOM 120 CA SER A 8 1.666 1.196 1.204 1.00 0.00 C ATOM 121 C SER A 8 1.699 2.501 0.410 1.00 0.00 C ATOM 122 O SER A 8 2.521 2.676 -0.468 1.00 0.00 O ATOM 123 CB SER A 8 2.825 1.214 2.213 1.00 0.00 C ATOM 124 OG SER A 8 2.798 2.530 2.750 1.00 0.00 O ATOM 0 H SER A 8 2.624 0.059 -0.337 1.00 0.00 H new ATOM 0 HA SER A 8 0.699 1.119 1.701 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.688 0.463 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.778 1.001 1.729 1.00 0.00 H new ATOM 0 HG SER A 8 3.552 2.648 3.364 1.00 0.00 H new ATOM 130 N CYS A 9 0.792 3.394 0.738 1.00 0.00 N ATOM 131 CA CYS A 9 0.742 4.702 0.023 1.00 0.00 C ATOM 132 C CYS A 9 0.438 5.849 1.013 1.00 0.00 C ATOM 133 O CYS A 9 -0.666 5.961 1.501 1.00 0.00 O ATOM 134 CB CYS A 9 -0.399 4.641 -1.004 1.00 0.00 C ATOM 135 SG CYS A 9 0.002 4.021 -2.656 1.00 0.00 S ATOM 0 H CYS A 9 0.089 3.270 1.467 1.00 0.00 H new ATOM 0 HA CYS A 9 1.703 4.887 -0.456 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.190 4.015 -0.592 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.810 5.645 -1.111 1.00 0.00 H new ATOM 0 HG CYS A 9 0.249 2.746 -2.593 1.00 0.00 H new ATOM 141 N PRO A 10 1.431 6.691 1.289 1.00 0.00 N ATOM 142 CA PRO A 10 1.245 7.810 2.217 1.00 0.00 C ATOM 143 C PRO A 10 0.275 8.863 1.676 1.00 0.00 C ATOM 144 O PRO A 10 -0.045 8.886 0.497 1.00 0.00 O ATOM 145 CB PRO A 10 2.648 8.440 2.365 1.00 0.00 C ATOM 146 CG PRO A 10 3.615 7.647 1.437 1.00 0.00 C ATOM 147 CD PRO A 10 2.783 6.565 0.728 1.00 0.00 C ATOM 0 HA PRO A 10 0.821 7.459 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.627 9.494 2.087 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.984 8.391 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 10 4.081 8.312 0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.420 7.195 2.017 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.777 6.717 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.193 5.571 0.908 1.00 0.00 H new ATOM 155 N GLU A 11 -0.174 9.716 2.563 1.00 0.00 N ATOM 156 CA GLU A 11 -1.122 10.785 2.160 1.00 0.00 C ATOM 157 C GLU A 11 -0.415 12.129 2.135 1.00 0.00 C ATOM 158 O GLU A 11 0.553 12.335 2.842 1.00 0.00 O ATOM 159 CB GLU A 11 -2.246 10.849 3.203 1.00 0.00 C ATOM 160 CG GLU A 11 -1.625 10.843 4.601 1.00 0.00 C ATOM 161 CD GLU A 11 -2.719 11.067 5.647 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.477 12.001 5.446 1.00 0.00 O ATOM 163 OE2 GLU A 11 -2.733 10.293 6.588 1.00 0.00 O ATOM 0 H GLU A 11 0.080 9.713 3.551 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.517 10.566 1.168 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.843 11.750 3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.918 9.999 3.085 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.122 9.893 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.868 11.624 4.678 1.00 0.00 H new ATOM 170 N ASN A 12 -0.902 13.023 1.331 1.00 0.00 N ATOM 171 CA ASN A 12 -0.256 14.354 1.264 1.00 0.00 C ATOM 172 C ASN A 12 1.262 14.213 1.155 1.00 0.00 C ATOM 173 O ASN A 12 1.990 14.593 2.052 1.00 0.00 O ATOM 174 CB ASN A 12 -0.592 15.110 2.560 1.00 0.00 C ATOM 175 CG ASN A 12 -2.112 15.241 2.690 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.784 14.295 3.291 1.00 0.00 O flip ATOM 177 ND2 ASN A 12 -2.704 16.206 2.247 1.00 0.00 N flip ATOM 0 H ASN A 12 -1.711 12.892 0.723 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.619 14.890 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.186 14.578 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.130 16.097 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.188 16.949 1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.717 16.272 2.346 1.00 0.00 H new ATOM 184 N GLU A 13 1.714 13.669 0.054 1.00 0.00 N ATOM 185 CA GLU A 13 3.177 13.497 -0.126 1.00 0.00 C ATOM 186 C GLU A 13 3.846 14.824 -0.453 1.00 0.00 C ATOM 187 O GLU A 13 3.212 15.861 -0.433 1.00 0.00 O ATOM 188 CB GLU A 13 3.421 12.525 -1.295 1.00 0.00 C ATOM 189 CG GLU A 13 2.963 11.123 -0.893 1.00 0.00 C ATOM 190 CD GLU A 13 3.519 10.106 -1.894 1.00 0.00 C ATOM 191 OE1 GLU A 13 3.383 10.380 -3.076 1.00 0.00 O ATOM 192 OE2 GLU A 13 4.049 9.115 -1.420 1.00 0.00 O ATOM 0 H GLU A 13 1.135 13.341 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 13 3.599 13.109 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.877 12.858 -2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.479 12.513 -1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.310 10.888 0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.874 11.075 -0.874 1.00 0.00 H new ATOM 199 N LYS A 14 5.123 14.759 -0.752 1.00 0.00 N ATOM 200 CA LYS A 14 5.879 15.997 -1.090 1.00 0.00 C ATOM 201 C LYS A 14 6.293 15.985 -2.556 1.00 0.00 C ATOM 202 O LYS A 14 6.146 14.989 -3.237 1.00 0.00 O ATOM 203 CB LYS A 14 7.151 16.079 -0.205 1.00 0.00 C ATOM 204 CG LYS A 14 7.814 14.689 -0.074 1.00 0.00 C ATOM 205 CD LYS A 14 8.749 14.449 -1.264 1.00 0.00 C ATOM 206 CE LYS A 14 9.840 15.519 -1.273 1.00 0.00 C ATOM 207 NZ LYS A 14 9.501 16.597 -2.243 1.00 0.00 N ATOM 0 H LYS A 14 5.670 13.899 -0.775 1.00 0.00 H new ATOM 0 HA LYS A 14 5.238 16.860 -0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.858 16.785 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.889 16.457 0.783 1.00 0.00 H new ATOM 0 HG2 LYS A 14 8.374 14.629 0.859 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.050 13.913 -0.037 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.197 13.458 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.185 14.480 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.952 15.941 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.797 15.070 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.366 16.917 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.830 16.231 -2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.070 17.397 -1.737 1.00 0.00 H new ATOM 221 N GLY A 15 6.793 17.097 -3.020 1.00 0.00 N ATOM 222 CA GLY A 15 7.222 17.165 -4.448 1.00 0.00 C ATOM 223 C GLY A 15 6.056 17.612 -5.335 1.00 0.00 C ATOM 224 O GLY A 15 4.943 17.761 -4.869 1.00 0.00 O ATOM 0 H GLY A 15 6.923 17.953 -2.481 1.00 0.00 H new ATOM 0 HA2 GLY A 15 8.054 17.862 -4.552 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.581 16.189 -4.773 1.00 0.00 H new ATOM 228 N GLU A 16 6.338 17.812 -6.598 1.00 0.00 N ATOM 229 CA GLU A 16 5.264 18.249 -7.531 1.00 0.00 C ATOM 230 C GLU A 16 4.692 17.065 -8.309 1.00 0.00 C ATOM 231 O GLU A 16 5.354 16.492 -9.152 1.00 0.00 O ATOM 232 CB GLU A 16 5.875 19.248 -8.530 1.00 0.00 C ATOM 233 CG GLU A 16 7.398 19.227 -8.386 1.00 0.00 C ATOM 234 CD GLU A 16 8.020 20.161 -9.425 1.00 0.00 C ATOM 235 OE1 GLU A 16 7.758 19.924 -10.593 1.00 0.00 O ATOM 236 OE2 GLU A 16 8.725 21.057 -8.993 1.00 0.00 O ATOM 0 H GLU A 16 7.260 17.692 -7.018 1.00 0.00 H new ATOM 0 HA GLU A 16 4.458 18.704 -6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.589 18.985 -9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.493 20.251 -8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.684 19.541 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.773 18.213 -8.522 1.00 0.00 H new ATOM 243 N PHE A 17 3.471 16.724 -8.009 1.00 0.00 N ATOM 244 CA PHE A 17 2.829 15.585 -8.714 1.00 0.00 C ATOM 245 C PHE A 17 2.836 15.825 -10.229 1.00 0.00 C ATOM 246 O PHE A 17 2.879 16.956 -10.671 1.00 0.00 O ATOM 247 CB PHE A 17 1.380 15.498 -8.212 1.00 0.00 C ATOM 248 CG PHE A 17 1.404 15.180 -6.720 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.488 13.870 -6.280 1.00 0.00 C ATOM 250 CD2 PHE A 17 1.375 16.201 -5.787 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.546 13.590 -4.933 1.00 0.00 C ATOM 252 CE2 PHE A 17 1.433 15.916 -4.441 1.00 0.00 C ATOM 253 CZ PHE A 17 1.518 14.614 -4.014 1.00 0.00 C ATOM 0 H PHE A 17 2.892 17.185 -7.307 1.00 0.00 H new ATOM 0 HA PHE A 17 3.370 14.660 -8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.860 16.439 -8.391 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.836 14.725 -8.756 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.508 13.063 -6.997 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.306 17.227 -6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.614 12.566 -4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.412 16.719 -3.719 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.563 14.394 -2.958 1.00 0.00 H new ATOM 263 N PRO A 18 2.792 14.749 -11.015 1.00 0.00 N ATOM 264 CA PRO A 18 2.737 13.357 -10.516 1.00 0.00 C ATOM 265 C PRO A 18 4.051 12.916 -9.878 1.00 0.00 C ATOM 266 O PRO A 18 5.094 13.479 -10.150 1.00 0.00 O ATOM 267 CB PRO A 18 2.487 12.503 -11.780 1.00 0.00 C ATOM 268 CG PRO A 18 2.540 13.462 -13.009 1.00 0.00 C ATOM 269 CD PRO A 18 2.766 14.884 -12.473 1.00 0.00 C ATOM 0 HA PRO A 18 1.970 13.254 -9.749 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.241 11.721 -11.870 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.518 12.006 -11.722 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.345 13.175 -13.686 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.611 13.409 -13.577 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.702 15.301 -12.846 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.969 15.556 -12.791 1.00 0.00 H new ATOM 277 N LYS A 19 3.969 11.913 -9.034 1.00 0.00 N ATOM 278 CA LYS A 19 5.203 11.416 -8.365 1.00 0.00 C ATOM 279 C LYS A 19 5.205 9.894 -8.264 1.00 0.00 C ATOM 280 O LYS A 19 4.172 9.275 -8.105 1.00 0.00 O ATOM 281 CB LYS A 19 5.252 12.000 -6.946 1.00 0.00 C ATOM 282 CG LYS A 19 6.694 11.954 -6.440 1.00 0.00 C ATOM 283 CD LYS A 19 6.770 12.653 -5.081 1.00 0.00 C ATOM 284 CE LYS A 19 8.091 12.286 -4.401 1.00 0.00 C ATOM 285 NZ LYS A 19 9.243 12.875 -5.141 1.00 0.00 N ATOM 0 H LYS A 19 3.109 11.425 -8.785 1.00 0.00 H new ATOM 0 HA LYS A 19 6.067 11.724 -8.953 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.886 13.027 -6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.601 11.431 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.028 10.920 -6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.358 12.443 -7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.701 13.733 -5.210 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.929 12.352 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.089 12.647 -3.373 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.195 11.202 -4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.121 12.702 -4.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.313 12.435 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.099 13.899 -5.248 1.00 0.00 H new ATOM 299 N ASN A 20 6.377 9.317 -8.364 1.00 0.00 N ATOM 300 CA ASN A 20 6.476 7.838 -8.277 1.00 0.00 C ATOM 301 C ASN A 20 6.326 7.363 -6.838 1.00 0.00 C ATOM 302 O ASN A 20 6.631 8.093 -5.913 1.00 0.00 O ATOM 303 CB ASN A 20 7.858 7.416 -8.786 1.00 0.00 C ATOM 304 CG ASN A 20 8.091 7.996 -10.183 1.00 0.00 C ATOM 305 OD1 ASN A 20 8.079 9.196 -10.380 1.00 0.00 O ATOM 306 ND2 ASN A 20 8.309 7.180 -11.179 1.00 0.00 N ATOM 0 H ASN A 20 7.261 9.807 -8.501 1.00 0.00 H new ATOM 0 HA ASN A 20 5.680 7.396 -8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.631 7.767 -8.102 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.929 6.329 -8.816 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.468 7.550 -12.116 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.320 6.173 -11.020 1.00 0.00 H new ATOM 313 N LEU A 21 5.855 6.140 -6.675 1.00 0.00 N ATOM 314 CA LEU A 21 5.675 5.591 -5.295 1.00 0.00 C ATOM 315 C LEU A 21 6.438 4.282 -5.120 1.00 0.00 C ATOM 316 O LEU A 21 7.387 4.213 -4.364 1.00 0.00 O ATOM 317 CB LEU A 21 4.178 5.312 -5.070 1.00 0.00 C ATOM 318 CG LEU A 21 3.428 6.636 -4.886 1.00 0.00 C ATOM 319 CD1 LEU A 21 1.973 6.339 -4.519 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.072 7.438 -3.754 1.00 0.00 C ATOM 0 H LEU A 21 5.592 5.510 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 21 6.056 6.319 -4.579 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.768 4.766 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.044 4.682 -4.191 1.00 0.00 H new ATOM 0 HG LEU A 21 3.472 7.210 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.433 7.276 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.507 5.761 -5.317 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.941 5.767 -3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.537 8.379 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.025 6.864 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.114 7.644 -4.001 1.00 0.00 H new ATOM 332 N VAL A 22 6.010 3.262 -5.819 1.00 0.00 N ATOM 333 CA VAL A 22 6.709 1.952 -5.695 1.00 0.00 C ATOM 334 C VAL A 22 6.415 1.056 -6.892 1.00 0.00 C ATOM 335 O VAL A 22 5.436 1.243 -7.580 1.00 0.00 O ATOM 336 CB VAL A 22 6.209 1.250 -4.424 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.815 0.675 -4.681 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.167 0.110 -4.074 1.00 0.00 C ATOM 0 H VAL A 22 5.218 3.280 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 22 7.783 2.132 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 22 6.165 1.963 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.456 0.176 -3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.132 1.482 -4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.863 -0.043 -5.500 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.819 -0.394 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.201 -0.603 -4.898 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.165 0.513 -3.902 1.00 0.00 H new ATOM 348 N GLN A 23 7.272 0.091 -7.110 1.00 0.00 N ATOM 349 CA GLN A 23 7.063 -0.830 -8.260 1.00 0.00 C ATOM 350 C GLN A 23 6.065 -1.933 -7.927 1.00 0.00 C ATOM 351 O GLN A 23 5.863 -2.272 -6.778 1.00 0.00 O ATOM 352 CB GLN A 23 8.410 -1.486 -8.604 1.00 0.00 C ATOM 353 CG GLN A 23 9.313 -0.458 -9.287 1.00 0.00 C ATOM 354 CD GLN A 23 10.395 -1.189 -10.089 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.567 -1.121 -9.776 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.044 -1.899 -11.125 1.00 0.00 N ATOM 0 H GLN A 23 8.100 -0.096 -6.545 1.00 0.00 H new ATOM 0 HA GLN A 23 6.669 -0.251 -9.096 1.00 0.00 H new ATOM 0 HB2 GLN A 23 8.887 -1.861 -7.698 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.254 -2.342 -9.260 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.724 0.180 -9.946 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.773 0.192 -8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.062 -1.960 -11.392 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.752 -2.394 -11.668 1.00 0.00 H new ATOM 365 N ILE A 24 5.460 -2.475 -8.952 1.00 0.00 N ATOM 366 CA ILE A 24 4.470 -3.557 -8.734 1.00 0.00 C ATOM 367 C ILE A 24 5.157 -4.920 -8.772 1.00 0.00 C ATOM 368 O ILE A 24 6.194 -5.070 -9.388 1.00 0.00 O ATOM 369 CB ILE A 24 3.441 -3.492 -9.857 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.495 -2.325 -9.622 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.627 -4.787 -9.845 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.951 -1.842 -10.968 1.00 0.00 C ATOM 0 H ILE A 24 5.612 -2.212 -9.926 1.00 0.00 H new ATOM 0 HA ILE A 24 3.996 -3.428 -7.761 1.00 0.00 H new ATOM 0 HB ILE A 24 3.950 -3.363 -10.812 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.675 -2.631 -8.973 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.017 -1.514 -9.115 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.885 -4.758 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.292 -5.636 -9.999 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.123 -4.891 -8.884 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.272 -1.005 -10.807 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.778 -1.521 -11.601 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.415 -2.655 -11.457 1.00 0.00 H new ATOM 384 N LYS A 25 4.571 -5.895 -8.105 1.00 0.00 N ATOM 385 CA LYS A 25 5.193 -7.255 -8.098 1.00 0.00 C ATOM 386 C LYS A 25 4.146 -8.380 -8.171 1.00 0.00 C ATOM 387 O LYS A 25 3.258 -8.450 -7.344 1.00 0.00 O ATOM 388 CB LYS A 25 5.976 -7.413 -6.780 1.00 0.00 C ATOM 389 CG LYS A 25 7.032 -6.305 -6.671 1.00 0.00 C ATOM 390 CD LYS A 25 7.611 -6.305 -5.247 1.00 0.00 C ATOM 391 CE LYS A 25 9.021 -5.693 -5.250 1.00 0.00 C ATOM 392 NZ LYS A 25 9.884 -6.375 -4.244 1.00 0.00 N ATOM 0 H LYS A 25 3.704 -5.806 -7.575 1.00 0.00 H new ATOM 0 HA LYS A 25 5.835 -7.338 -8.975 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.293 -7.363 -5.932 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.456 -8.391 -6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.826 -6.468 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.586 -5.336 -6.896 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.961 -5.737 -4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.649 -7.324 -4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.463 -5.787 -6.242 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.963 -4.628 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.834 -5.951 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.468 -6.264 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.953 -7.387 -4.475 1.00 0.00 H new ATOM 406 N SER A 26 4.280 -9.243 -9.168 1.00 0.00 N ATOM 407 CA SER A 26 3.307 -10.378 -9.318 1.00 0.00 C ATOM 408 C SER A 26 4.049 -11.713 -9.409 1.00 0.00 C ATOM 409 O SER A 26 5.257 -11.763 -9.312 1.00 0.00 O ATOM 410 CB SER A 26 2.488 -10.178 -10.607 1.00 0.00 C ATOM 411 OG SER A 26 1.897 -11.445 -10.846 1.00 0.00 O ATOM 0 H SER A 26 5.015 -9.206 -9.874 1.00 0.00 H new ATOM 0 HA SER A 26 2.651 -10.392 -8.448 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.732 -9.403 -10.482 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.123 -9.872 -11.438 1.00 0.00 H new ATOM 0 HG SER A 26 1.350 -11.403 -11.658 1.00 0.00 H new ATOM 417 N ASN A 27 3.311 -12.771 -9.599 1.00 0.00 N ATOM 418 CA ASN A 27 3.957 -14.107 -9.696 1.00 0.00 C ATOM 419 C ASN A 27 4.418 -14.414 -11.124 1.00 0.00 C ATOM 420 O ASN A 27 5.544 -14.814 -11.337 1.00 0.00 O ATOM 421 CB ASN A 27 2.924 -15.163 -9.269 1.00 0.00 C ATOM 422 CG ASN A 27 3.275 -16.512 -9.902 1.00 0.00 C ATOM 423 OD1 ASN A 27 2.670 -16.931 -10.868 1.00 0.00 O ATOM 424 ND2 ASN A 27 4.245 -17.219 -9.388 1.00 0.00 N ATOM 0 H ASN A 27 2.295 -12.768 -9.691 1.00 0.00 H new ATOM 0 HA ASN A 27 4.836 -14.119 -9.052 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.909 -15.253 -8.183 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.925 -14.854 -9.577 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.492 -18.120 -9.798 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.756 -16.871 -8.577 1.00 0.00 H new ATOM 431 N ARG A 28 3.535 -14.220 -12.070 1.00 0.00 N ATOM 432 CA ARG A 28 3.890 -14.494 -13.498 1.00 0.00 C ATOM 433 C ARG A 28 5.344 -14.135 -13.812 1.00 0.00 C ATOM 434 O ARG A 28 5.961 -14.731 -14.679 1.00 0.00 O ATOM 435 CB ARG A 28 2.975 -13.641 -14.388 1.00 0.00 C ATOM 436 CG ARG A 28 1.519 -13.863 -13.971 1.00 0.00 C ATOM 437 CD ARG A 28 1.220 -15.366 -13.969 1.00 0.00 C ATOM 438 NE ARG A 28 1.884 -15.994 -15.145 1.00 0.00 N ATOM 439 CZ ARG A 28 1.751 -17.276 -15.347 1.00 0.00 C ATOM 440 NH1 ARG A 28 2.456 -18.104 -14.626 1.00 0.00 N ATOM 441 NH2 ARG A 28 0.913 -17.686 -16.259 1.00 0.00 N ATOM 0 H ARG A 28 2.584 -13.884 -11.917 1.00 0.00 H new ATOM 0 HA ARG A 28 3.762 -15.560 -13.683 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.236 -12.587 -14.294 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.111 -13.911 -15.435 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.344 -13.444 -12.980 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.848 -13.347 -14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.580 -15.820 -13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.144 -15.536 -14.009 1.00 0.00 H new ATOM 0 HE ARG A 28 2.438 -15.427 -15.787 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.098 -17.745 -13.919 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.365 -19.110 -14.770 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.376 -17.008 -16.800 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.795 -18.684 -16.431 1.00 0.00 H new ATOM 455 N ASP A 29 5.871 -13.182 -13.099 1.00 0.00 N ATOM 456 CA ASP A 29 7.278 -12.782 -13.353 1.00 0.00 C ATOM 457 C ASP A 29 8.233 -13.933 -13.065 1.00 0.00 C ATOM 458 O ASP A 29 9.434 -13.746 -13.016 1.00 0.00 O ATOM 459 CB ASP A 29 7.624 -11.608 -12.430 1.00 0.00 C ATOM 460 CG ASP A 29 8.024 -12.146 -11.057 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.287 -12.988 -10.571 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.044 -11.686 -10.574 1.00 0.00 O ATOM 0 H ASP A 29 5.393 -12.668 -12.359 1.00 0.00 H new ATOM 0 HA ASP A 29 7.381 -12.500 -14.401 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.440 -11.024 -12.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.768 -10.940 -12.336 1.00 0.00 H new ATOM 467 N LYS A 30 7.681 -15.106 -12.880 1.00 0.00 N ATOM 468 CA LYS A 30 8.539 -16.286 -12.594 1.00 0.00 C ATOM 469 C LYS A 30 8.744 -17.130 -13.846 1.00 0.00 C ATOM 470 O LYS A 30 9.382 -18.163 -13.795 1.00 0.00 O ATOM 471 CB LYS A 30 7.839 -17.150 -11.533 1.00 0.00 C ATOM 472 CG LYS A 30 8.044 -16.521 -10.152 1.00 0.00 C ATOM 473 CD LYS A 30 7.909 -17.603 -9.079 1.00 0.00 C ATOM 474 CE LYS A 30 9.280 -18.231 -8.822 1.00 0.00 C ATOM 475 NZ LYS A 30 10.143 -17.299 -8.044 1.00 0.00 N ATOM 0 H LYS A 30 6.679 -15.293 -12.915 1.00 0.00 H new ATOM 0 HA LYS A 30 9.511 -15.937 -12.244 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.775 -17.228 -11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.243 -18.162 -11.548 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.028 -16.056 -10.094 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.309 -15.734 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.515 -17.172 -8.159 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.201 -18.366 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.161 -19.167 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.759 -18.473 -9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.012 -17.102 -8.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.631 -16.410 -7.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.390 -17.734 -7.132 1.00 0.00 H new ATOM 489 N GLU A 31 8.193 -16.678 -14.955 1.00 0.00 N ATOM 490 CA GLU A 31 8.354 -17.455 -16.223 1.00 0.00 C ATOM 491 C GLU A 31 8.671 -16.548 -17.406 1.00 0.00 C ATOM 492 O GLU A 31 9.351 -16.951 -18.330 1.00 0.00 O ATOM 493 CB GLU A 31 7.032 -18.185 -16.515 1.00 0.00 C ATOM 494 CG GLU A 31 5.862 -17.322 -16.040 1.00 0.00 C ATOM 495 CD GLU A 31 4.547 -17.944 -16.516 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.186 -18.955 -15.936 1.00 0.00 O ATOM 497 OE2 GLU A 31 3.979 -17.374 -17.432 1.00 0.00 O ATOM 0 H GLU A 31 7.649 -15.819 -15.032 1.00 0.00 H new ATOM 0 HA GLU A 31 9.181 -18.153 -16.094 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.942 -18.384 -17.583 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.016 -19.150 -16.008 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.869 -17.247 -14.953 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.961 -16.309 -16.430 1.00 0.00 H new ATOM 504 N THR A 32 8.179 -15.343 -17.365 1.00 0.00 N ATOM 505 CA THR A 32 8.457 -14.416 -18.493 1.00 0.00 C ATOM 506 C THR A 32 8.232 -12.965 -18.091 1.00 0.00 C ATOM 507 O THR A 32 7.349 -12.669 -17.310 1.00 0.00 O ATOM 508 CB THR A 32 7.478 -14.755 -19.619 1.00 0.00 C ATOM 509 OG1 THR A 32 7.989 -14.115 -20.769 1.00 0.00 O ATOM 510 CG2 THR A 32 6.120 -14.085 -19.370 1.00 0.00 C ATOM 0 H THR A 32 7.605 -14.964 -16.611 1.00 0.00 H new ATOM 0 HA THR A 32 9.497 -14.531 -18.799 1.00 0.00 H new ATOM 0 HB THR A 32 7.364 -15.836 -19.700 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.249 -13.865 -21.360 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.436 -14.337 -20.180 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.708 -14.438 -18.425 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.250 -13.004 -19.328 1.00 0.00 H new ATOM 518 N LYS A 33 9.033 -12.072 -18.629 1.00 0.00 N ATOM 519 CA LYS A 33 8.848 -10.649 -18.268 1.00 0.00 C ATOM 520 C LYS A 33 7.383 -10.298 -18.415 1.00 0.00 C ATOM 521 O LYS A 33 6.855 -10.270 -19.513 1.00 0.00 O ATOM 522 CB LYS A 33 9.673 -9.777 -19.221 1.00 0.00 C ATOM 523 CG LYS A 33 9.521 -8.315 -18.800 1.00 0.00 C ATOM 524 CD LYS A 33 10.843 -7.582 -19.026 1.00 0.00 C ATOM 525 CE LYS A 33 10.704 -6.141 -18.526 1.00 0.00 C ATOM 526 NZ LYS A 33 9.900 -6.099 -17.272 1.00 0.00 N ATOM 0 H LYS A 33 9.787 -12.271 -19.287 1.00 0.00 H new ATOM 0 HA LYS A 33 9.173 -10.478 -17.242 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.722 -10.072 -19.191 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.333 -9.912 -20.248 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.726 -7.840 -19.375 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.234 -8.255 -17.750 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.650 -8.088 -18.496 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.102 -7.590 -20.085 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.691 -5.715 -18.346 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.227 -5.529 -19.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.064 -5.195 -16.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.890 -6.190 -17.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.184 -6.883 -16.651 1.00 0.00 H new ATOM 540 N VAL A 34 6.755 -10.023 -17.314 1.00 0.00 N ATOM 541 CA VAL A 34 5.318 -9.676 -17.363 1.00 0.00 C ATOM 542 C VAL A 34 5.052 -8.170 -17.312 1.00 0.00 C ATOM 543 O VAL A 34 5.725 -7.427 -16.626 1.00 0.00 O ATOM 544 CB VAL A 34 4.657 -10.328 -16.139 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.344 -9.827 -14.864 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.186 -9.945 -16.095 1.00 0.00 C ATOM 0 H VAL A 34 7.174 -10.024 -16.384 1.00 0.00 H new ATOM 0 HA VAL A 34 4.915 -10.033 -18.311 1.00 0.00 H new ATOM 0 HB VAL A 34 4.753 -11.412 -16.208 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.877 -10.288 -13.994 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.401 -10.092 -14.892 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.244 -8.744 -14.798 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.716 -10.407 -15.227 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.094 -8.861 -16.024 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.692 -10.292 -17.003 1.00 0.00 H new ATOM 556 N PHE A 35 4.056 -7.765 -18.066 1.00 0.00 N ATOM 557 CA PHE A 35 3.671 -6.333 -18.118 1.00 0.00 C ATOM 558 C PHE A 35 2.475 -6.139 -17.209 1.00 0.00 C ATOM 559 O PHE A 35 1.657 -7.040 -17.083 1.00 0.00 O ATOM 560 CB PHE A 35 3.269 -5.958 -19.561 1.00 0.00 C ATOM 561 CG PHE A 35 4.520 -5.662 -20.401 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.771 -6.118 -20.010 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.414 -4.907 -21.560 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.889 -5.818 -20.765 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.536 -4.612 -22.308 1.00 0.00 C ATOM 566 CZ PHE A 35 6.770 -5.067 -21.909 1.00 0.00 C ATOM 0 H PHE A 35 3.492 -8.380 -18.652 1.00 0.00 H new ATOM 0 HA PHE A 35 4.505 -5.706 -17.802 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.704 -6.774 -20.012 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.615 -5.086 -19.549 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.871 -6.710 -19.112 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.447 -4.548 -21.879 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.860 -6.175 -20.454 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.444 -4.023 -23.208 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.647 -4.834 -22.495 1.00 0.00 H new ATOM 576 N TYR A 36 2.360 -4.972 -16.614 1.00 0.00 N ATOM 577 CA TYR A 36 1.198 -4.736 -15.699 1.00 0.00 C ATOM 578 C TYR A 36 0.117 -3.834 -16.265 1.00 0.00 C ATOM 579 O TYR A 36 0.276 -3.188 -17.275 1.00 0.00 O ATOM 580 CB TYR A 36 1.723 -4.072 -14.426 1.00 0.00 C ATOM 581 CG TYR A 36 2.392 -5.119 -13.551 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.702 -6.241 -13.147 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.698 -4.966 -13.162 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.312 -7.192 -12.370 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.311 -5.916 -12.382 1.00 0.00 C ATOM 586 CZ TYR A 36 3.626 -7.039 -11.978 1.00 0.00 C ATOM 587 OH TYR A 36 4.242 -7.987 -11.184 1.00 0.00 O ATOM 0 H TYR A 36 3.006 -4.190 -16.720 1.00 0.00 H new ATOM 0 HA TYR A 36 0.742 -5.712 -15.530 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.434 -3.285 -14.679 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.904 -3.599 -13.885 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.672 -6.373 -13.445 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.250 -4.091 -13.472 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.760 -8.068 -12.062 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.340 -5.780 -12.083 1.00 0.00 H new ATOM 0 HH TYR A 36 5.188 -7.755 -11.072 1.00 0.00 H new ATOM 597 N SER A 37 -0.976 -3.833 -15.552 1.00 0.00 N ATOM 598 CA SER A 37 -2.150 -3.018 -15.929 1.00 0.00 C ATOM 599 C SER A 37 -3.027 -2.862 -14.694 1.00 0.00 C ATOM 600 O SER A 37 -3.070 -3.752 -13.868 1.00 0.00 O ATOM 601 CB SER A 37 -2.940 -3.753 -17.021 1.00 0.00 C ATOM 602 OG SER A 37 -4.240 -3.188 -16.944 1.00 0.00 O ATOM 0 H SER A 37 -1.100 -4.381 -14.701 1.00 0.00 H new ATOM 0 HA SER A 37 -1.838 -2.042 -16.302 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.497 -3.601 -18.005 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.961 -4.828 -16.843 1.00 0.00 H new ATOM 0 HG SER A 37 -4.818 -3.604 -17.617 1.00 0.00 H new ATOM 608 N ILE A 38 -3.709 -1.748 -14.573 1.00 0.00 N ATOM 609 CA ILE A 38 -4.576 -1.565 -13.372 1.00 0.00 C ATOM 610 C ILE A 38 -5.906 -0.916 -13.707 1.00 0.00 C ATOM 611 O ILE A 38 -6.016 -0.135 -14.631 1.00 0.00 O ATOM 612 CB ILE A 38 -3.830 -0.674 -12.382 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.604 -0.601 -11.072 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.728 0.739 -12.974 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.717 0.033 -9.996 1.00 0.00 C ATOM 0 H ILE A 38 -3.703 -0.975 -15.239 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.790 -2.549 -12.955 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.837 -1.084 -12.196 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.512 -0.012 -11.205 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.914 -1.599 -10.763 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.197 1.388 -12.277 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.186 0.699 -13.919 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.729 1.134 -13.147 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.267 0.087 -9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.822 -0.574 -9.858 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.430 1.037 -10.307 1.00 0.00 H new ATOM 627 N THR A 39 -6.899 -1.260 -12.928 1.00 0.00 N ATOM 628 CA THR A 39 -8.248 -0.698 -13.147 1.00 0.00 C ATOM 629 C THR A 39 -9.034 -0.694 -11.836 1.00 0.00 C ATOM 630 O THR A 39 -8.977 -1.645 -11.075 1.00 0.00 O ATOM 631 CB THR A 39 -8.981 -1.584 -14.158 1.00 0.00 C ATOM 632 OG1 THR A 39 -10.205 -0.926 -14.415 1.00 0.00 O ATOM 633 CG2 THR A 39 -9.387 -2.920 -13.517 1.00 0.00 C ATOM 0 H THR A 39 -6.824 -1.911 -12.147 1.00 0.00 H new ATOM 0 HA THR A 39 -8.162 0.324 -13.516 1.00 0.00 H new ATOM 0 HB THR A 39 -8.348 -1.754 -15.029 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.726 -1.446 -15.062 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.906 -3.534 -14.253 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.496 -3.444 -13.172 1.00 0.00 H new ATOM 0 HG23 THR A 39 -10.048 -2.732 -12.671 1.00 0.00 H new ATOM 641 N GLY A 40 -9.749 0.375 -11.592 1.00 0.00 N ATOM 642 CA GLY A 40 -10.544 0.449 -10.328 1.00 0.00 C ATOM 643 C GLY A 40 -10.540 1.875 -9.765 1.00 0.00 C ATOM 644 O GLY A 40 -10.075 2.798 -10.402 1.00 0.00 O ATOM 0 H GLY A 40 -9.817 1.189 -12.203 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.569 0.131 -10.519 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.129 -0.239 -9.591 1.00 0.00 H new ATOM 648 N GLN A 41 -11.071 2.021 -8.576 1.00 0.00 N ATOM 649 CA GLN A 41 -11.114 3.367 -7.946 1.00 0.00 C ATOM 650 C GLN A 41 -9.734 4.012 -7.940 1.00 0.00 C ATOM 651 O GLN A 41 -8.783 3.429 -7.471 1.00 0.00 O ATOM 652 CB GLN A 41 -11.585 3.202 -6.490 1.00 0.00 C ATOM 653 CG GLN A 41 -10.978 1.917 -5.908 1.00 0.00 C ATOM 654 CD GLN A 41 -11.193 1.889 -4.390 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.464 3.002 -3.763 1.00 0.00 O flip ATOM 656 NE2 GLN A 41 -11.111 0.852 -3.761 1.00 0.00 N flip ATOM 0 H GLN A 41 -11.474 1.267 -8.020 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.793 4.003 -8.514 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.281 4.064 -5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.673 3.156 -6.450 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -11.441 1.044 -6.367 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.913 1.870 -6.136 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.900 -0.022 -4.243 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.254 0.856 -2.751 1.00 0.00 H new ATOM 665 N GLY A 42 -9.648 5.209 -8.457 1.00 0.00 N ATOM 666 CA GLY A 42 -8.323 5.905 -8.486 1.00 0.00 C ATOM 667 C GLY A 42 -7.698 5.779 -9.875 1.00 0.00 C ATOM 668 O GLY A 42 -6.906 6.611 -10.289 1.00 0.00 O ATOM 0 H GLY A 42 -10.427 5.732 -8.857 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.449 6.957 -8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.659 5.472 -7.738 1.00 0.00 H new ATOM 672 N ALA A 43 -8.067 4.733 -10.562 1.00 0.00 N ATOM 673 CA ALA A 43 -7.523 4.514 -11.920 1.00 0.00 C ATOM 674 C ALA A 43 -8.571 4.869 -12.963 1.00 0.00 C ATOM 675 O ALA A 43 -8.589 5.970 -13.484 1.00 0.00 O ATOM 676 CB ALA A 43 -7.164 3.025 -12.061 1.00 0.00 C ATOM 0 H ALA A 43 -8.723 4.023 -10.236 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.644 5.140 -12.070 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.760 2.841 -13.057 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.418 2.758 -11.312 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.058 2.420 -11.914 1.00 0.00 H new ATOM 682 N ASP A 44 -9.436 3.929 -13.237 1.00 0.00 N ATOM 683 CA ASP A 44 -10.499 4.175 -14.240 1.00 0.00 C ATOM 684 C ASP A 44 -11.813 4.544 -13.564 1.00 0.00 C ATOM 685 O ASP A 44 -12.667 5.163 -14.168 1.00 0.00 O ATOM 686 CB ASP A 44 -10.708 2.881 -15.040 1.00 0.00 C ATOM 687 CG ASP A 44 -11.483 1.876 -14.183 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.216 1.861 -12.993 1.00 0.00 O ATOM 689 OD2 ASP A 44 -12.297 1.181 -14.769 1.00 0.00 O ATOM 0 H ASP A 44 -9.448 3.004 -12.807 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.196 5.000 -14.885 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.256 3.092 -15.958 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.746 2.461 -15.332 1.00 0.00 H new ATOM 694 N LYS A 45 -11.949 4.161 -12.319 1.00 0.00 N ATOM 695 CA LYS A 45 -13.202 4.480 -11.585 1.00 0.00 C ATOM 696 C LYS A 45 -13.010 5.699 -10.672 1.00 0.00 C ATOM 697 O LYS A 45 -11.921 5.953 -10.187 1.00 0.00 O ATOM 698 CB LYS A 45 -13.571 3.270 -10.718 1.00 0.00 C ATOM 699 CG LYS A 45 -14.577 2.402 -11.473 1.00 0.00 C ATOM 700 CD LYS A 45 -15.199 1.394 -10.506 1.00 0.00 C ATOM 701 CE LYS A 45 -16.629 1.097 -10.951 1.00 0.00 C ATOM 702 NZ LYS A 45 -16.722 1.108 -12.438 1.00 0.00 N ATOM 0 H LYS A 45 -11.249 3.645 -11.786 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.988 4.706 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.678 2.691 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.997 3.602 -9.771 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.354 3.026 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.082 1.880 -12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.611 0.476 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.195 1.793 -9.492 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.942 0.126 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -17.309 1.839 -10.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -17.458 0.440 -12.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -16.966 2.065 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.807 0.826 -12.845 1.00 0.00 H new ATOM 716 N PRO A 46 -14.090 6.432 -10.448 1.00 0.00 N ATOM 717 CA PRO A 46 -14.046 7.619 -9.599 1.00 0.00 C ATOM 718 C PRO A 46 -13.481 7.292 -8.201 1.00 0.00 C ATOM 719 O PRO A 46 -13.926 6.357 -7.564 1.00 0.00 O ATOM 720 CB PRO A 46 -15.522 8.057 -9.463 1.00 0.00 C ATOM 721 CG PRO A 46 -16.377 7.100 -10.348 1.00 0.00 C ATOM 722 CD PRO A 46 -15.410 6.109 -11.009 1.00 0.00 C ATOM 0 HA PRO A 46 -13.404 8.389 -10.027 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.843 8.006 -8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.647 9.091 -9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.114 6.573 -9.743 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.927 7.662 -11.103 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.690 5.079 -10.790 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.415 6.217 -12.094 1.00 0.00 H new ATOM 730 N PRO A 47 -12.504 8.073 -7.735 1.00 0.00 N ATOM 731 CA PRO A 47 -11.904 9.189 -8.493 1.00 0.00 C ATOM 732 C PRO A 47 -11.099 8.687 -9.696 1.00 0.00 C ATOM 733 O PRO A 47 -10.120 7.990 -9.539 1.00 0.00 O ATOM 734 CB PRO A 47 -10.942 9.868 -7.491 1.00 0.00 C ATOM 735 CG PRO A 47 -10.964 9.025 -6.177 1.00 0.00 C ATOM 736 CD PRO A 47 -11.968 7.881 -6.385 1.00 0.00 C ATOM 0 HA PRO A 47 -12.672 9.857 -8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.933 9.915 -7.900 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.254 10.894 -7.294 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.972 8.630 -5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.257 9.643 -5.328 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.482 6.910 -6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.762 7.915 -5.639 1.00 0.00 H new ATOM 744 N VAL A 48 -11.528 9.048 -10.873 1.00 0.00 N ATOM 745 CA VAL A 48 -10.797 8.598 -12.078 1.00 0.00 C ATOM 746 C VAL A 48 -9.580 9.475 -12.331 1.00 0.00 C ATOM 747 O VAL A 48 -9.678 10.685 -12.354 1.00 0.00 O ATOM 748 CB VAL A 48 -11.743 8.690 -13.287 1.00 0.00 C ATOM 749 CG1 VAL A 48 -11.980 10.160 -13.641 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.101 7.985 -14.479 1.00 0.00 C ATOM 0 H VAL A 48 -12.347 9.631 -11.047 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.460 7.572 -11.928 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.694 8.216 -13.043 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -12.651 10.224 -14.498 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -12.429 10.671 -12.790 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.029 10.633 -13.888 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -11.767 8.047 -15.340 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.153 8.466 -14.719 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.925 6.938 -14.231 1.00 0.00 H new ATOM 760 N GLY A 49 -8.447 8.851 -12.510 1.00 0.00 N ATOM 761 CA GLY A 49 -7.210 9.645 -12.765 1.00 0.00 C ATOM 762 C GLY A 49 -6.519 10.025 -11.447 1.00 0.00 C ATOM 763 O GLY A 49 -6.545 11.169 -11.037 1.00 0.00 O ATOM 0 H GLY A 49 -8.324 7.839 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.525 9.068 -13.386 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.461 10.548 -13.322 1.00 0.00 H new ATOM 767 N VAL A 50 -5.918 9.054 -10.810 1.00 0.00 N ATOM 768 CA VAL A 50 -5.222 9.339 -9.525 1.00 0.00 C ATOM 769 C VAL A 50 -3.988 8.462 -9.384 1.00 0.00 C ATOM 770 O VAL A 50 -2.968 8.901 -8.860 1.00 0.00 O ATOM 771 CB VAL A 50 -6.182 9.030 -8.362 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.423 9.132 -7.031 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.326 10.046 -8.366 1.00 0.00 C ATOM 0 H VAL A 50 -5.880 8.084 -11.123 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.920 10.386 -9.509 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.582 8.023 -8.479 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.102 8.913 -6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.602 8.415 -7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.025 10.140 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.008 9.830 -7.543 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.921 11.051 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.866 9.982 -9.311 1.00 0.00 H new ATOM 783 N PHE A 51 -4.112 7.225 -9.843 1.00 0.00 N ATOM 784 CA PHE A 51 -2.963 6.270 -9.759 1.00 0.00 C ATOM 785 C PHE A 51 -2.568 5.752 -11.142 1.00 0.00 C ATOM 786 O PHE A 51 -3.341 5.070 -11.788 1.00 0.00 O ATOM 787 CB PHE A 51 -3.390 5.043 -8.924 1.00 0.00 C ATOM 788 CG PHE A 51 -3.547 5.424 -7.456 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.709 6.020 -7.003 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.536 5.149 -6.557 1.00 0.00 C ATOM 791 CE1 PHE A 51 -4.854 6.335 -5.667 1.00 0.00 C ATOM 792 CE2 PHE A 51 -2.682 5.464 -5.225 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.839 6.057 -4.780 1.00 0.00 C ATOM 0 H PHE A 51 -4.958 6.846 -10.268 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.123 6.799 -9.310 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.331 4.646 -9.305 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.647 4.252 -9.023 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.507 6.240 -7.697 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.624 4.684 -6.901 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.764 6.800 -5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.886 5.245 -4.529 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.952 6.305 -3.735 1.00 0.00 H new ATOM 803 N ILE A 52 -1.371 6.080 -11.567 1.00 0.00 N ATOM 804 CA ILE A 52 -0.901 5.612 -12.906 1.00 0.00 C ATOM 805 C ILE A 52 0.200 4.573 -12.714 1.00 0.00 C ATOM 806 O ILE A 52 0.875 4.579 -11.706 1.00 0.00 O ATOM 807 CB ILE A 52 -0.334 6.804 -13.689 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.671 7.568 -12.825 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.501 7.733 -14.087 1.00 0.00 C ATOM 810 CD1 ILE A 52 -0.029 8.678 -12.020 1.00 0.00 C ATOM 0 H ILE A 52 -0.703 6.649 -11.046 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.734 5.173 -13.455 1.00 0.00 H new ATOM 0 HB ILE A 52 0.178 6.449 -14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.169 6.878 -12.144 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.443 8.004 -13.458 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.113 8.586 -14.645 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.208 7.184 -14.709 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.007 8.087 -13.189 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.706 9.207 -11.414 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.506 9.379 -12.705 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.784 8.235 -11.370 1.00 0.00 H new ATOM 822 N ILE A 53 0.366 3.696 -13.675 1.00 0.00 N ATOM 823 CA ILE A 53 1.430 2.659 -13.530 1.00 0.00 C ATOM 824 C ILE A 53 2.103 2.343 -14.858 1.00 0.00 C ATOM 825 O ILE A 53 1.492 2.416 -15.906 1.00 0.00 O ATOM 826 CB ILE A 53 0.774 1.381 -13.005 1.00 0.00 C ATOM 827 CG1 ILE A 53 -0.104 0.770 -14.089 1.00 0.00 C ATOM 828 CG2 ILE A 53 -0.113 1.742 -11.803 1.00 0.00 C ATOM 829 CD1 ILE A 53 0.685 -0.313 -14.826 1.00 0.00 C ATOM 0 H ILE A 53 -0.178 3.654 -14.537 1.00 0.00 H new ATOM 0 HA ILE A 53 2.191 3.038 -12.848 1.00 0.00 H new ATOM 0 HB ILE A 53 1.546 0.668 -12.714 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.004 0.343 -13.647 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.427 1.541 -14.789 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.588 0.840 -11.417 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.499 2.192 -11.021 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.880 2.450 -12.116 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.060 -0.753 -15.603 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.572 0.129 -15.280 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.986 -1.087 -14.121 1.00 0.00 H new ATOM 841 N GLU A 54 3.364 1.997 -14.785 1.00 0.00 N ATOM 842 CA GLU A 54 4.105 1.668 -16.025 1.00 0.00 C ATOM 843 C GLU A 54 3.940 0.188 -16.353 1.00 0.00 C ATOM 844 O GLU A 54 4.579 -0.660 -15.763 1.00 0.00 O ATOM 845 CB GLU A 54 5.597 1.974 -15.801 1.00 0.00 C ATOM 846 CG GLU A 54 6.062 2.986 -16.851 1.00 0.00 C ATOM 847 CD GLU A 54 6.264 2.270 -18.189 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.430 1.430 -18.484 1.00 0.00 O ATOM 849 OE2 GLU A 54 7.241 2.603 -18.838 1.00 0.00 O ATOM 0 H GLU A 54 3.904 1.930 -13.922 1.00 0.00 H new ATOM 0 HA GLU A 54 3.716 2.261 -16.853 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.753 2.373 -14.799 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.184 1.059 -15.875 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.324 3.781 -16.959 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.993 3.456 -16.533 1.00 0.00 H new ATOM 856 N ARG A 55 3.079 -0.092 -17.285 1.00 0.00 N ATOM 857 CA ARG A 55 2.845 -1.505 -17.674 1.00 0.00 C ATOM 858 C ARG A 55 4.148 -2.237 -17.979 1.00 0.00 C ATOM 859 O ARG A 55 4.146 -3.436 -18.174 1.00 0.00 O ATOM 860 CB ARG A 55 1.981 -1.510 -18.946 1.00 0.00 C ATOM 861 CG ARG A 55 2.857 -1.140 -20.145 1.00 0.00 C ATOM 862 CD ARG A 55 1.961 -0.832 -21.349 1.00 0.00 C ATOM 863 NE ARG A 55 2.547 0.309 -22.107 1.00 0.00 N ATOM 864 CZ ARG A 55 3.118 0.086 -23.259 1.00 0.00 C ATOM 865 NH1 ARG A 55 2.537 -0.721 -24.103 1.00 0.00 N ATOM 866 NH2 ARG A 55 4.252 0.674 -23.526 1.00 0.00 N ATOM 0 H ARG A 55 2.526 0.597 -17.795 1.00 0.00 H new ATOM 0 HA ARG A 55 2.356 -2.014 -16.843 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.535 -2.494 -19.095 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.160 -0.800 -18.846 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.475 -0.274 -19.906 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.535 -1.960 -20.382 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.878 -1.709 -21.991 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.953 -0.585 -21.015 1.00 0.00 H new ATOM 0 HE ARG A 55 2.502 1.255 -21.729 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.652 -1.165 -23.857 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.967 -0.908 -25.009 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.678 1.296 -22.839 1.00 0.00 H new ATOM 0 HH22 ARG A 55 4.712 0.511 -24.421 1.00 0.00 H new ATOM 880 N GLU A 56 5.243 -1.512 -18.000 1.00 0.00 N ATOM 881 CA GLU A 56 6.545 -2.168 -18.294 1.00 0.00 C ATOM 882 C GLU A 56 7.301 -2.535 -17.023 1.00 0.00 C ATOM 883 O GLU A 56 7.382 -3.691 -16.659 1.00 0.00 O ATOM 884 CB GLU A 56 7.404 -1.185 -19.101 1.00 0.00 C ATOM 885 CG GLU A 56 6.940 -1.187 -20.559 1.00 0.00 C ATOM 886 CD GLU A 56 7.812 -0.224 -21.368 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.009 -0.463 -21.386 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.233 0.697 -21.920 1.00 0.00 O ATOM 0 H GLU A 56 5.286 -0.508 -17.828 1.00 0.00 H new ATOM 0 HA GLU A 56 6.348 -3.086 -18.847 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.320 -0.182 -18.682 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.455 -1.469 -19.041 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.008 -2.193 -20.973 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.894 -0.887 -20.620 1.00 0.00 H new ATOM 895 N THR A 57 7.842 -1.544 -16.372 1.00 0.00 N ATOM 896 CA THR A 57 8.600 -1.820 -15.122 1.00 0.00 C ATOM 897 C THR A 57 7.668 -2.000 -13.933 1.00 0.00 C ATOM 898 O THR A 57 8.087 -2.425 -12.875 1.00 0.00 O ATOM 899 CB THR A 57 9.522 -0.631 -14.845 1.00 0.00 C ATOM 900 OG1 THR A 57 8.681 0.504 -14.871 1.00 0.00 O ATOM 901 CG2 THR A 57 10.504 -0.417 -16.007 1.00 0.00 C ATOM 0 H THR A 57 7.793 -0.563 -16.648 1.00 0.00 H new ATOM 0 HA THR A 57 9.167 -2.741 -15.255 1.00 0.00 H new ATOM 0 HB THR A 57 10.066 -0.792 -13.914 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.192 1.283 -15.174 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.149 0.434 -15.787 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.114 -1.311 -16.137 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.947 -0.222 -16.923 1.00 0.00 H new ATOM 909 N GLY A 58 6.426 -1.676 -14.122 1.00 0.00 N ATOM 910 CA GLY A 58 5.457 -1.824 -13.002 1.00 0.00 C ATOM 911 C GLY A 58 5.585 -0.651 -12.034 1.00 0.00 C ATOM 912 O GLY A 58 5.072 -0.693 -10.933 1.00 0.00 O ATOM 0 H GLY A 58 6.038 -1.318 -14.995 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.441 -1.872 -13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.639 -2.761 -12.475 1.00 0.00 H new ATOM 916 N TRP A 59 6.272 0.373 -12.463 1.00 0.00 N ATOM 917 CA TRP A 59 6.441 1.553 -11.583 1.00 0.00 C ATOM 918 C TRP A 59 5.093 2.178 -11.256 1.00 0.00 C ATOM 919 O TRP A 59 4.422 2.705 -12.124 1.00 0.00 O ATOM 920 CB TRP A 59 7.309 2.589 -12.316 1.00 0.00 C ATOM 921 CG TRP A 59 8.707 2.605 -11.688 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.809 2.184 -12.295 1.00 0.00 C ATOM 923 CD2 TRP A 59 8.969 3.025 -10.475 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.772 2.374 -11.372 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.315 2.907 -10.180 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.098 3.532 -9.533 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.787 3.296 -8.941 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.571 3.921 -8.295 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.914 3.802 -7.999 1.00 0.00 C ATOM 0 H TRP A 59 6.718 0.439 -13.378 1.00 0.00 H new ATOM 0 HA TRP A 59 6.915 1.240 -10.653 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.375 2.342 -13.376 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.854 3.577 -12.247 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.910 1.784 -13.293 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.752 2.145 -11.538 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.047 3.625 -9.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.838 3.204 -8.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.889 4.319 -7.558 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.282 4.105 -7.030 1.00 0.00 H new ATOM 940 N LEU A 60 4.714 2.103 -10.007 1.00 0.00 N ATOM 941 CA LEU A 60 3.412 2.688 -9.608 1.00 0.00 C ATOM 942 C LEU A 60 3.571 4.148 -9.222 1.00 0.00 C ATOM 943 O LEU A 60 4.221 4.470 -8.235 1.00 0.00 O ATOM 944 CB LEU A 60 2.870 1.920 -8.388 1.00 0.00 C ATOM 945 CG LEU A 60 1.331 1.893 -8.440 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.796 1.313 -7.136 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.785 3.319 -8.597 1.00 0.00 C ATOM 0 H LEU A 60 5.248 1.665 -9.256 1.00 0.00 H new ATOM 0 HA LEU A 60 2.726 2.614 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.262 0.903 -8.382 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.205 2.397 -7.467 1.00 0.00 H new ATOM 0 HG LEU A 60 1.016 1.284 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.293 1.292 -7.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.175 0.299 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.123 1.933 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.304 3.290 -8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.104 3.926 -7.750 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.167 3.755 -9.520 1.00 0.00 H new ATOM 959 N LYS A 61 2.982 5.004 -10.015 1.00 0.00 N ATOM 960 CA LYS A 61 3.063 6.459 -9.743 1.00 0.00 C ATOM 961 C LYS A 61 1.671 7.010 -9.509 1.00 0.00 C ATOM 962 O LYS A 61 0.694 6.391 -9.887 1.00 0.00 O ATOM 963 CB LYS A 61 3.683 7.153 -10.971 1.00 0.00 C ATOM 964 CG LYS A 61 4.116 6.087 -11.982 1.00 0.00 C ATOM 965 CD LYS A 61 4.623 6.771 -13.255 1.00 0.00 C ATOM 966 CE LYS A 61 6.085 7.181 -13.060 1.00 0.00 C ATOM 967 NZ LYS A 61 6.489 8.181 -14.088 1.00 0.00 N ATOM 0 H LYS A 61 2.445 4.750 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 61 3.674 6.638 -8.859 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.960 7.831 -11.425 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.540 7.756 -10.670 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.900 5.462 -11.555 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.278 5.431 -12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.533 6.095 -14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.014 7.647 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.221 7.600 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.727 6.303 -13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.483 8.448 -13.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.378 7.768 -15.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.888 9.026 -14.006 1.00 0.00 H new ATOM 981 N VAL A 62 1.597 8.156 -8.884 1.00 0.00 N ATOM 982 CA VAL A 62 0.259 8.755 -8.620 1.00 0.00 C ATOM 983 C VAL A 62 0.220 10.228 -8.974 1.00 0.00 C ATOM 984 O VAL A 62 1.211 10.937 -8.864 1.00 0.00 O ATOM 985 CB VAL A 62 -0.061 8.605 -7.120 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.139 7.121 -6.769 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.044 9.263 -6.288 1.00 0.00 C ATOM 0 H VAL A 62 2.395 8.696 -8.549 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.472 8.235 -9.239 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.014 9.088 -6.903 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.365 7.009 -5.709 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.924 6.648 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.817 6.645 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.814 9.155 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.998 8.781 -6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.107 10.322 -6.540 1.00 0.00 H new ATOM 997 N THR A 63 -0.930 10.659 -9.415 1.00 0.00 N ATOM 998 CA THR A 63 -1.088 12.071 -9.786 1.00 0.00 C ATOM 999 C THR A 63 -1.548 12.857 -8.574 1.00 0.00 C ATOM 1000 O THR A 63 -1.390 14.058 -8.512 1.00 0.00 O ATOM 1001 CB THR A 63 -2.152 12.174 -10.883 1.00 0.00 C ATOM 1002 OG1 THR A 63 -2.783 10.910 -10.912 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.497 12.312 -12.265 1.00 0.00 C ATOM 0 H THR A 63 -1.763 10.083 -9.531 1.00 0.00 H new ATOM 0 HA THR A 63 -0.139 12.471 -10.144 1.00 0.00 H new ATOM 0 HB THR A 63 -2.808 13.022 -10.684 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.482 10.909 -11.598 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.271 12.384 -13.029 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.881 13.211 -12.287 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.873 11.440 -12.461 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.127 12.151 -7.625 1.00 0.00 N ATOM 1012 CA GLN A 64 -2.609 12.838 -6.393 1.00 0.00 C ATOM 1013 C GLN A 64 -2.343 11.957 -5.151 1.00 0.00 C ATOM 1014 O GLN A 64 -2.510 10.755 -5.200 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.122 13.082 -6.527 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.355 14.319 -7.397 1.00 0.00 C ATOM 1017 CD GLN A 64 -5.788 14.820 -7.196 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -6.019 15.977 -6.914 1.00 0.00 O ATOM 1019 NE2 GLN A 64 -6.779 13.978 -7.334 1.00 0.00 N ATOM 0 H GLN A 64 -2.282 11.143 -7.655 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.080 13.783 -6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.605 12.212 -6.973 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.568 13.225 -5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.644 15.102 -7.133 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.187 14.076 -8.446 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.591 13.004 -7.571 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.740 14.295 -7.205 1.00 0.00 H new ATOM 1028 N PRO A 65 -1.933 12.584 -4.049 1.00 0.00 N ATOM 1029 CA PRO A 65 -1.650 11.850 -2.811 1.00 0.00 C ATOM 1030 C PRO A 65 -2.893 11.171 -2.251 1.00 0.00 C ATOM 1031 O PRO A 65 -3.991 11.395 -2.717 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.180 12.927 -1.813 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.387 14.312 -2.495 1.00 0.00 C ATOM 1034 CD PRO A 65 -1.742 14.042 -3.965 1.00 0.00 C ATOM 0 HA PRO A 65 -0.916 11.065 -2.989 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.750 12.866 -0.886 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.132 12.779 -1.554 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.184 14.869 -2.002 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.483 14.917 -2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.646 14.576 -4.257 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.946 14.375 -4.631 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.692 10.346 -1.255 1.00 0.00 N ATOM 1043 CA LEU A 66 -3.845 9.647 -0.651 1.00 0.00 C ATOM 1044 C LEU A 66 -4.386 10.459 0.514 1.00 0.00 C ATOM 1045 O LEU A 66 -3.770 11.423 0.927 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.371 8.285 -0.142 1.00 0.00 C ATOM 1047 CG LEU A 66 -3.365 7.304 -1.311 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -2.130 7.562 -2.179 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.309 5.885 -0.769 1.00 0.00 C ATOM 0 H LEU A 66 -1.784 10.133 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.634 9.521 -1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.373 8.368 0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.029 7.927 0.649 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.267 7.435 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.121 6.864 -3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.159 8.583 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.229 7.423 -1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.304 5.178 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.402 5.757 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.180 5.701 -0.141 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.525 10.070 1.027 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.094 10.835 2.169 1.00 0.00 C ATOM 1063 C ASP A 67 -6.834 9.930 3.145 1.00 0.00 C ATOM 1064 O ASP A 67 -7.919 9.461 2.861 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.083 11.865 1.614 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.537 12.779 2.750 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.204 12.444 3.877 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -8.187 13.759 2.429 1.00 0.00 O ATOM 0 H ASP A 67 -6.074 9.271 0.710 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.274 11.313 2.705 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.613 12.451 0.824 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.942 11.361 1.170 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.237 9.713 4.288 1.00 0.00 N ATOM 1074 CA ARG A 68 -6.888 8.845 5.294 1.00 0.00 C ATOM 1075 C ARG A 68 -8.289 9.349 5.603 1.00 0.00 C ATOM 1076 O ARG A 68 -9.178 8.575 5.897 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.057 8.885 6.587 1.00 0.00 C ATOM 1078 CG ARG A 68 -4.793 8.046 6.405 1.00 0.00 C ATOM 1079 CD ARG A 68 -4.141 7.822 7.770 1.00 0.00 C ATOM 1080 NE ARG A 68 -4.443 6.439 8.232 1.00 0.00 N ATOM 1081 CZ ARG A 68 -3.483 5.557 8.286 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -2.309 5.926 8.721 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -3.731 4.334 7.905 1.00 0.00 N ATOM 0 H ARG A 68 -5.333 10.099 4.561 1.00 0.00 H new ATOM 0 HA ARG A 68 -6.952 7.830 4.902 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.792 9.914 6.830 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.644 8.502 7.422 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.040 7.089 5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.098 8.553 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.063 7.969 7.701 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.516 8.549 8.490 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.392 6.183 8.504 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.153 6.891 9.012 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.547 5.249 8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.662 4.082 7.573 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.994 3.630 7.940 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.464 10.644 5.534 1.00 0.00 N ATOM 1098 CA GLU A 69 -9.803 11.206 5.822 1.00 0.00 C ATOM 1099 C GLU A 69 -10.837 10.617 4.875 1.00 0.00 C ATOM 1100 O GLU A 69 -11.984 10.441 5.234 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.754 12.729 5.621 1.00 0.00 C ATOM 1102 CG GLU A 69 -9.013 13.368 6.797 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.991 13.579 7.955 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -10.100 12.658 8.746 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -10.575 14.650 7.979 1.00 0.00 O ATOM 0 H GLU A 69 -7.743 11.324 5.293 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.080 10.964 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.250 12.968 4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.765 13.131 5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.189 12.729 7.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.579 14.321 6.494 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.407 10.318 3.676 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.345 9.738 2.688 1.00 0.00 C ATOM 1114 C ALA A 70 -11.247 8.221 2.697 1.00 0.00 C ATOM 1115 O ALA A 70 -12.231 7.532 2.889 1.00 0.00 O ATOM 1116 CB ALA A 70 -10.962 10.256 1.292 1.00 0.00 C ATOM 0 H ALA A 70 -9.451 10.452 3.346 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.365 10.028 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.643 9.839 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.030 11.344 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.941 9.953 1.059 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.053 7.727 2.494 1.00 0.00 N ATOM 1123 CA ILE A 71 -9.855 6.256 2.485 1.00 0.00 C ATOM 1124 C ILE A 71 -8.543 5.887 3.164 1.00 0.00 C ATOM 1125 O ILE A 71 -7.496 6.389 2.810 1.00 0.00 O ATOM 1126 CB ILE A 71 -9.797 5.784 1.031 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.168 5.913 0.390 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.385 4.303 1.014 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.006 5.944 -1.131 1.00 0.00 C ATOM 0 H ILE A 71 -9.211 8.281 2.335 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.678 5.783 3.021 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.080 6.392 0.479 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.801 5.076 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.661 6.822 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.339 3.950 -0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.406 4.192 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.118 3.715 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.986 6.036 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.387 6.795 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.530 5.022 -1.465 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.620 5.021 4.135 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.383 4.612 4.844 1.00 0.00 C ATOM 1143 C ALA A 72 -6.761 3.396 4.169 1.00 0.00 C ATOM 1144 O ALA A 72 -5.715 2.921 4.570 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.748 4.246 6.290 1.00 0.00 C ATOM 0 H ALA A 72 -9.480 4.583 4.464 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.667 5.433 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.849 3.942 6.826 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.191 5.111 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.464 3.424 6.288 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.420 2.916 3.151 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.897 1.733 2.427 1.00 0.00 C ATOM 1153 C LYS A 73 -7.524 1.645 1.037 1.00 0.00 C ATOM 1154 O LYS A 73 -8.728 1.550 0.904 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.269 0.479 3.236 1.00 0.00 C ATOM 1156 CG LYS A 73 -6.515 -0.734 2.685 1.00 0.00 C ATOM 1157 CD LYS A 73 -6.095 -1.632 3.857 1.00 0.00 C ATOM 1158 CE LYS A 73 -5.970 -3.080 3.376 1.00 0.00 C ATOM 1159 NZ LYS A 73 -5.979 -4.018 4.536 1.00 0.00 N ATOM 0 H LYS A 73 -8.297 3.294 2.792 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.816 1.814 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.021 0.626 4.287 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.344 0.306 3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.148 -1.289 1.993 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.638 -0.410 2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.144 -1.291 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.830 -1.567 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -6.793 -3.318 2.702 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.047 -3.203 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.893 -4.996 4.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.179 -3.801 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.871 -3.912 5.061 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.692 1.681 0.026 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.215 1.601 -1.365 1.00 0.00 C ATOM 1175 C TYR A 74 -7.083 0.191 -1.931 1.00 0.00 C ATOM 1176 O TYR A 74 -6.157 -0.528 -1.607 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.380 2.546 -2.253 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.688 4.007 -1.903 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.456 4.489 -0.632 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.187 4.868 -2.862 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.717 5.808 -0.324 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.448 6.188 -2.551 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.214 6.667 -1.278 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.467 7.989 -0.964 1.00 0.00 O ATOM 0 H TYR A 74 -5.678 1.762 0.107 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.269 1.879 -1.352 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.318 2.346 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.602 2.361 -3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.067 3.828 0.129 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.374 4.506 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.529 6.171 0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -7.838 6.850 -3.310 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.813 8.453 -1.755 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.023 -0.173 -2.767 1.00 0.00 N ATOM 1195 CA ILE A 75 -7.997 -1.526 -3.386 1.00 0.00 C ATOM 1196 C ILE A 75 -8.228 -1.399 -4.886 1.00 0.00 C ATOM 1197 O ILE A 75 -9.208 -0.817 -5.310 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.124 -2.374 -2.774 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -8.853 -2.602 -1.289 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.151 -3.747 -3.479 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -9.631 -3.836 -0.821 1.00 0.00 C ATOM 0 H ILE A 75 -8.809 0.414 -3.046 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.032 -1.998 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.074 -1.855 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.786 -2.744 -1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.154 -1.727 -0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.947 -4.359 -3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.332 -3.605 -4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.193 -4.248 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.442 -4.005 0.239 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.698 -3.675 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -9.308 -4.707 -1.390 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.318 -1.939 -5.665 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.473 -1.854 -7.151 1.00 0.00 C ATOM 1215 C LEU A 76 -7.323 -3.221 -7.792 1.00 0.00 C ATOM 1216 O LEU A 76 -6.687 -4.086 -7.244 1.00 0.00 O ATOM 1217 CB LEU A 76 -6.351 -0.952 -7.716 1.00 0.00 C ATOM 1218 CG LEU A 76 -6.181 0.301 -6.840 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -4.696 0.655 -6.741 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.916 1.460 -7.490 1.00 0.00 C ATOM 0 H LEU A 76 -6.485 -2.429 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 76 -8.463 -1.454 -7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.414 -1.507 -7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.590 -0.659 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.582 0.109 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.574 1.543 -6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.153 -0.177 -6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.302 0.852 -7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.802 2.354 -6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.501 1.645 -8.481 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.974 1.215 -7.580 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.916 -3.391 -8.947 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.811 -4.703 -9.637 1.00 0.00 C ATOM 1234 C TYR A 77 -6.746 -4.599 -10.708 1.00 0.00 C ATOM 1235 O TYR A 77 -6.737 -3.651 -11.470 1.00 0.00 O ATOM 1236 CB TYR A 77 -9.161 -5.032 -10.281 1.00 0.00 C ATOM 1237 CG TYR A 77 -10.101 -5.577 -9.201 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.096 -6.919 -8.874 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.962 -4.730 -8.534 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.941 -7.404 -7.895 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -11.806 -5.215 -7.557 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.803 -6.554 -7.230 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.645 -7.037 -6.247 1.00 0.00 O ATOM 0 H TYR A 77 -8.463 -2.682 -9.435 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.546 -5.489 -8.929 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.589 -4.140 -10.739 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.032 -5.767 -11.075 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.427 -7.594 -9.387 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -10.975 -3.678 -8.779 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.928 -8.455 -7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -12.475 -4.540 -7.044 1.00 0.00 H new ATOM 0 HH TYR A 77 -13.181 -6.301 -5.885 1.00 0.00 H new ATOM 1253 N SER A 78 -5.863 -5.573 -10.754 1.00 0.00 N ATOM 1254 CA SER A 78 -4.780 -5.527 -11.784 1.00 0.00 C ATOM 1255 C SER A 78 -4.806 -6.702 -12.752 1.00 0.00 C ATOM 1256 O SER A 78 -5.294 -7.774 -12.448 1.00 0.00 O ATOM 1257 CB SER A 78 -3.432 -5.544 -11.047 1.00 0.00 C ATOM 1258 OG SER A 78 -3.234 -6.911 -10.717 1.00 0.00 O ATOM 0 H SER A 78 -5.847 -6.382 -10.134 1.00 0.00 H new ATOM 0 HA SER A 78 -4.931 -4.624 -12.375 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.628 -5.166 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.458 -4.918 -10.155 1.00 0.00 H new ATOM 0 HG SER A 78 -2.384 -7.012 -10.239 1.00 0.00 H new ATOM 1264 N HIS A 79 -4.264 -6.445 -13.914 1.00 0.00 N ATOM 1265 CA HIS A 79 -4.199 -7.474 -14.977 1.00 0.00 C ATOM 1266 C HIS A 79 -2.763 -7.527 -15.493 1.00 0.00 C ATOM 1267 O HIS A 79 -2.074 -6.525 -15.453 1.00 0.00 O ATOM 1268 CB HIS A 79 -5.133 -7.057 -16.124 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.404 -6.443 -15.538 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.483 -7.051 -15.384 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.629 -5.164 -15.072 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.368 -6.300 -14.871 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.915 -5.069 -14.634 1.00 0.00 N ATOM 0 H HIS A 79 -3.857 -5.545 -14.169 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.501 -8.449 -14.594 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.633 -6.338 -16.773 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.382 -7.922 -16.739 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.634 -8.027 -15.638 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.902 -4.366 -15.057 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.375 -6.622 -14.651 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.326 -8.672 -15.966 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.914 -8.753 -16.478 1.00 0.00 C ATOM 1283 C ALA A 80 -0.800 -9.490 -17.815 1.00 0.00 C ATOM 1284 O ALA A 80 -1.529 -10.429 -18.088 1.00 0.00 O ATOM 1285 CB ALA A 80 -0.079 -9.507 -15.435 1.00 0.00 C ATOM 0 H ALA A 80 -2.868 -9.535 -16.021 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.560 -7.735 -16.641 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.952 -9.582 -15.780 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.107 -8.968 -14.488 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.488 -10.508 -15.296 1.00 0.00 H new ATOM 1291 N VAL A 81 0.145 -9.045 -18.620 1.00 0.00 N ATOM 1292 CA VAL A 81 0.352 -9.688 -19.956 1.00 0.00 C ATOM 1293 C VAL A 81 1.837 -9.917 -20.220 1.00 0.00 C ATOM 1294 O VAL A 81 2.654 -9.110 -19.868 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.197 -8.747 -21.039 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.154 -9.525 -21.942 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.957 -7.596 -20.374 1.00 0.00 C ATOM 0 H VAL A 81 0.774 -8.271 -18.408 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.163 -10.649 -19.971 1.00 0.00 H new ATOM 0 HB VAL A 81 0.627 -8.348 -21.630 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.547 -8.862 -22.713 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.620 -10.351 -22.412 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.978 -9.917 -21.346 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.348 -6.927 -21.141 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.783 -7.997 -19.787 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.282 -7.044 -19.720 1.00 0.00 H new ATOM 1307 N SER A 82 2.156 -11.003 -20.861 1.00 0.00 N ATOM 1308 CA SER A 82 3.593 -11.277 -21.142 1.00 0.00 C ATOM 1309 C SER A 82 4.117 -10.381 -22.263 1.00 0.00 C ATOM 1310 O SER A 82 3.492 -10.233 -23.303 1.00 0.00 O ATOM 1311 CB SER A 82 3.752 -12.745 -21.554 1.00 0.00 C ATOM 1312 OG SER A 82 3.363 -12.768 -22.915 1.00 0.00 O ATOM 0 H SER A 82 1.497 -11.704 -21.199 1.00 0.00 H new ATOM 0 HA SER A 82 4.168 -11.069 -20.239 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.780 -13.085 -21.428 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.124 -13.399 -20.949 1.00 0.00 H new ATOM 0 HG SER A 82 3.011 -11.889 -23.170 1.00 0.00 H new ATOM 1318 N SER A 83 5.271 -9.815 -22.028 1.00 0.00 N ATOM 1319 CA SER A 83 5.883 -8.917 -23.041 1.00 0.00 C ATOM 1320 C SER A 83 6.169 -9.632 -24.360 1.00 0.00 C ATOM 1321 O SER A 83 6.908 -9.121 -25.179 1.00 0.00 O ATOM 1322 CB SER A 83 7.211 -8.400 -22.472 1.00 0.00 C ATOM 1323 OG SER A 83 6.998 -8.364 -21.069 1.00 0.00 O ATOM 0 H SER A 83 5.815 -9.939 -21.174 1.00 0.00 H new ATOM 0 HA SER A 83 5.180 -8.110 -23.248 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.039 -9.059 -22.732 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.454 -7.412 -22.863 1.00 0.00 H new ATOM 0 HG SER A 83 6.867 -7.436 -20.782 1.00 0.00 H new ATOM 1329 N ASN A 84 5.587 -10.798 -24.545 1.00 0.00 N ATOM 1330 CA ASN A 84 5.826 -11.549 -25.818 1.00 0.00 C ATOM 1331 C ASN A 84 4.516 -11.887 -26.527 1.00 0.00 C ATOM 1332 O ASN A 84 4.522 -12.553 -27.542 1.00 0.00 O ATOM 1333 CB ASN A 84 6.597 -12.846 -25.504 1.00 0.00 C ATOM 1334 CG ASN A 84 6.099 -13.446 -24.194 1.00 0.00 C ATOM 1335 OD1 ASN A 84 6.402 -12.958 -23.127 1.00 0.00 O ATOM 1336 ND2 ASN A 84 5.345 -14.508 -24.227 1.00 0.00 N ATOM 0 H ASN A 84 4.965 -11.255 -23.878 1.00 0.00 H new ATOM 0 HA ASN A 84 6.410 -10.915 -26.485 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.465 -13.562 -26.315 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.664 -12.636 -25.435 1.00 0.00 H new ATOM 0 HD21 ASN A 84 5.013 -14.925 -23.357 1.00 0.00 H new ATOM 0 HD22 ASN A 84 5.087 -14.923 -25.122 1.00 0.00 H new ATOM 1343 N GLY A 85 3.411 -11.421 -25.980 1.00 0.00 N ATOM 1344 CA GLY A 85 2.085 -11.715 -26.634 1.00 0.00 C ATOM 1345 C GLY A 85 1.294 -12.799 -25.890 1.00 0.00 C ATOM 1346 O GLY A 85 0.214 -13.167 -26.313 1.00 0.00 O ATOM 0 H GLY A 85 3.367 -10.862 -25.128 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.493 -10.801 -26.676 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.253 -12.033 -27.663 1.00 0.00 H new ATOM 1350 N GLU A 86 1.832 -13.285 -24.806 1.00 0.00 N ATOM 1351 CA GLU A 86 1.107 -14.341 -24.039 1.00 0.00 C ATOM 1352 C GLU A 86 0.370 -13.726 -22.857 1.00 0.00 C ATOM 1353 O GLU A 86 0.977 -13.250 -21.922 1.00 0.00 O ATOM 1354 CB GLU A 86 2.134 -15.358 -23.516 1.00 0.00 C ATOM 1355 CG GLU A 86 3.054 -15.769 -24.668 1.00 0.00 C ATOM 1356 CD GLU A 86 2.300 -16.716 -25.605 1.00 0.00 C ATOM 1357 OE1 GLU A 86 1.496 -17.468 -25.083 1.00 0.00 O ATOM 1358 OE2 GLU A 86 2.570 -16.630 -26.792 1.00 0.00 O ATOM 0 H GLU A 86 2.733 -13.002 -24.420 1.00 0.00 H new ATOM 0 HA GLU A 86 0.382 -14.828 -24.691 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.717 -14.922 -22.705 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.626 -16.232 -23.109 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.387 -14.887 -25.215 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.947 -16.259 -24.279 1.00 0.00 H new ATOM 1365 N ALA A 87 -0.930 -13.745 -22.924 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.729 -13.166 -21.817 1.00 0.00 C ATOM 1367 C ALA A 87 -1.542 -13.940 -20.518 1.00 0.00 C ATOM 1368 O ALA A 87 -1.673 -15.148 -20.488 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.212 -13.224 -22.212 1.00 0.00 C ATOM 0 H ALA A 87 -1.471 -14.136 -23.696 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.396 -12.141 -21.652 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.819 -12.802 -21.411 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.368 -12.650 -23.125 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.503 -14.261 -22.381 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.233 -13.218 -19.469 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.029 -13.866 -18.148 1.00 0.00 C ATOM 1377 C VAL A 88 -1.784 -13.085 -17.097 1.00 0.00 C ATOM 1378 O VAL A 88 -1.442 -13.105 -15.931 1.00 0.00 O ATOM 1379 CB VAL A 88 0.467 -13.835 -17.798 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.252 -14.626 -18.843 1.00 0.00 C ATOM 1381 CG2 VAL A 88 0.957 -12.383 -17.789 1.00 0.00 C ATOM 0 H VAL A 88 -1.114 -12.205 -19.476 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.385 -14.896 -18.184 1.00 0.00 H new ATOM 0 HB VAL A 88 0.619 -14.280 -16.814 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.313 -14.604 -18.595 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.904 -15.659 -18.855 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.100 -14.181 -19.826 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.018 -12.359 -17.541 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.804 -11.941 -18.774 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.398 -11.815 -17.046 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.806 -12.410 -17.537 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.608 -11.612 -16.596 1.00 0.00 C ATOM 1393 C GLU A 89 -4.564 -12.467 -15.798 1.00 0.00 C ATOM 1394 O GLU A 89 -5.068 -13.468 -16.269 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.438 -10.595 -17.402 1.00 0.00 C ATOM 1396 CG GLU A 89 -5.233 -11.338 -18.485 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.499 -11.943 -17.868 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.753 -11.623 -16.718 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -7.142 -12.694 -18.583 1.00 0.00 O ATOM 0 H GLU A 89 -3.114 -12.381 -18.509 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.924 -11.123 -15.903 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.117 -10.056 -16.741 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.783 -9.854 -17.859 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -5.500 -10.653 -19.289 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.620 -12.124 -18.926 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.786 -12.050 -14.595 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.696 -12.785 -13.709 1.00 0.00 C ATOM 1408 C ASP A 90 -6.257 -11.818 -12.675 1.00 0.00 C ATOM 1409 O ASP A 90 -5.607 -10.859 -12.310 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.901 -13.884 -12.987 1.00 0.00 C ATOM 1411 CG ASP A 90 -4.666 -15.053 -13.946 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -5.533 -15.910 -13.976 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -3.632 -15.023 -14.592 1.00 0.00 O ATOM 0 H ASP A 90 -4.366 -11.216 -14.185 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.508 -13.229 -14.285 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.947 -13.489 -12.637 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -5.447 -14.225 -12.107 1.00 0.00 H new ATOM 1418 N PRO A 91 -7.450 -12.081 -12.215 1.00 0.00 N ATOM 1419 CA PRO A 91 -8.070 -11.220 -11.228 1.00 0.00 C ATOM 1420 C PRO A 91 -7.161 -11.045 -10.009 1.00 0.00 C ATOM 1421 O PRO A 91 -7.270 -11.760 -9.029 1.00 0.00 O ATOM 1422 CB PRO A 91 -9.389 -11.943 -10.844 1.00 0.00 C ATOM 1423 CG PRO A 91 -9.459 -13.250 -11.694 1.00 0.00 C ATOM 1424 CD PRO A 91 -8.233 -13.253 -12.621 1.00 0.00 C ATOM 0 HA PRO A 91 -8.253 -10.217 -11.613 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.406 -12.175 -9.779 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -10.250 -11.306 -11.045 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -9.457 -14.129 -11.050 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -10.381 -13.283 -12.275 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -7.656 -14.171 -12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -8.529 -13.187 -13.668 1.00 0.00 H new ATOM 1432 N MET A 92 -6.266 -10.090 -10.108 1.00 0.00 N ATOM 1433 CA MET A 92 -5.331 -9.831 -8.985 1.00 0.00 C ATOM 1434 C MET A 92 -5.761 -8.600 -8.215 1.00 0.00 C ATOM 1435 O MET A 92 -5.822 -7.520 -8.757 1.00 0.00 O ATOM 1436 CB MET A 92 -3.928 -9.593 -9.570 1.00 0.00 C ATOM 1437 CG MET A 92 -2.999 -10.717 -9.114 1.00 0.00 C ATOM 1438 SD MET A 92 -2.463 -10.704 -7.387 1.00 0.00 S ATOM 1439 CE MET A 92 -0.884 -11.551 -7.636 1.00 0.00 C ATOM 0 H MET A 92 -6.149 -9.484 -10.920 1.00 0.00 H new ATOM 0 HA MET A 92 -5.329 -10.685 -8.308 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.975 -9.562 -10.659 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.542 -8.629 -9.240 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.500 -11.666 -9.304 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.109 -10.695 -9.743 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.371 -11.654 -6.680 1.00 0.00 H new ATOM 0 HE2 MET A 92 -1.064 -12.539 -8.059 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.264 -10.971 -8.319 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.049 -8.780 -6.965 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.475 -7.625 -6.156 1.00 0.00 C ATOM 1451 C GLU A 93 -5.288 -6.934 -5.508 1.00 0.00 C ATOM 1452 O GLU A 93 -4.613 -7.502 -4.672 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.403 -8.125 -5.052 1.00 0.00 C ATOM 1454 CG GLU A 93 -8.668 -8.714 -5.679 1.00 0.00 C ATOM 1455 CD GLU A 93 -8.366 -10.113 -6.222 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -7.331 -10.631 -5.837 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.188 -10.584 -6.990 1.00 0.00 O ATOM 0 H GLU A 93 -6.007 -9.673 -6.473 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.978 -6.912 -6.809 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.897 -8.880 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.664 -7.306 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.465 -8.765 -4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -9.022 -8.069 -6.483 1.00 0.00 H new ATOM 1464 N ILE A 94 -5.056 -5.718 -5.906 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.925 -4.963 -5.333 1.00 0.00 C ATOM 1466 C ILE A 94 -4.385 -4.226 -4.087 1.00 0.00 C ATOM 1467 O ILE A 94 -5.251 -3.366 -4.152 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.444 -3.943 -6.378 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.367 -4.580 -7.247 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.836 -2.720 -5.651 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.928 -3.585 -8.328 1.00 0.00 C ATOM 0 H ILE A 94 -5.605 -5.218 -6.605 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.116 -5.644 -5.068 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.285 -3.632 -6.997 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.513 -4.868 -6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.749 -5.490 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -2.493 -1.993 -6.387 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.593 -2.262 -5.014 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.993 -3.042 -5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.157 -4.040 -8.950 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.785 -3.319 -8.948 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.530 -2.687 -7.856 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.800 -4.579 -2.970 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.181 -3.919 -1.701 1.00 0.00 C ATOM 1485 C VAL A 95 -3.176 -2.843 -1.332 1.00 0.00 C ATOM 1486 O VAL A 95 -1.987 -3.091 -1.304 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.191 -4.987 -0.596 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -4.415 -4.311 0.758 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.329 -5.975 -0.863 1.00 0.00 C ATOM 0 H VAL A 95 -3.078 -5.295 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.161 -3.455 -1.814 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.238 -5.517 -0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.423 -5.066 1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.612 -3.599 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -5.370 -3.786 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.341 -6.735 -0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.280 -5.442 -0.866 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.177 -6.452 -1.831 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.676 -1.660 -1.061 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.769 -0.539 -0.690 1.00 0.00 C ATOM 1501 C ILE A 96 -3.233 0.134 0.593 1.00 0.00 C ATOM 1502 O ILE A 96 -4.268 0.758 0.627 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.793 0.492 -1.819 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.086 -0.066 -3.041 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -2.042 1.751 -1.348 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.845 0.371 -4.295 1.00 0.00 C ATOM 0 H ILE A 96 -4.669 -1.428 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.764 -0.932 -0.534 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.826 0.731 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.058 0.293 -3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.042 -1.154 -2.987 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.049 2.498 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.532 2.157 -0.463 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -1.012 1.491 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.345 -0.025 -5.179 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.865 -0.010 -4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.866 1.460 -4.347 1.00 0.00 H new ATOM 1518 N THR A 97 -2.452 -0.003 1.627 1.00 0.00 N ATOM 1519 CA THR A 97 -2.835 0.624 2.913 1.00 0.00 C ATOM 1520 C THR A 97 -2.289 2.042 2.996 1.00 0.00 C ATOM 1521 O THR A 97 -1.215 2.327 2.500 1.00 0.00 O ATOM 1522 CB THR A 97 -2.236 -0.213 4.051 1.00 0.00 C ATOM 1523 OG1 THR A 97 -3.062 0.038 5.170 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.854 0.320 4.465 1.00 0.00 C ATOM 0 H THR A 97 -1.572 -0.519 1.634 1.00 0.00 H new ATOM 0 HA THR A 97 -3.921 0.664 2.991 1.00 0.00 H new ATOM 0 HB THR A 97 -2.162 -1.255 3.740 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.734 -0.472 5.940 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.455 -0.293 5.273 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.178 0.280 3.611 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.949 1.351 4.805 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.036 2.909 3.620 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.566 4.311 3.738 1.00 0.00 C ATOM 1534 C VAL A 98 -1.728 4.519 4.993 1.00 0.00 C ATOM 1535 O VAL A 98 -2.101 4.095 6.070 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.790 5.226 3.812 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.325 6.671 4.008 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.573 5.123 2.505 1.00 0.00 C ATOM 0 H VAL A 98 -3.940 2.709 4.048 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.946 4.541 2.871 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.425 4.927 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.193 7.328 4.062 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.754 6.747 4.934 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.696 6.968 3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.447 5.773 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.937 5.430 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.895 4.093 2.354 1.00 0.00 H new ATOM 1548 N THR A 99 -0.606 5.177 4.824 1.00 0.00 N ATOM 1549 CA THR A 99 0.286 5.436 5.985 1.00 0.00 C ATOM 1550 C THR A 99 0.137 6.878 6.464 1.00 0.00 C ATOM 1551 O THR A 99 -0.155 7.765 5.687 1.00 0.00 O ATOM 1552 CB THR A 99 1.736 5.215 5.537 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.646 4.603 4.267 1.00 0.00 O ATOM 1554 CG2 THR A 99 2.429 4.167 6.421 1.00 0.00 C ATOM 0 H THR A 99 -0.275 5.543 3.932 1.00 0.00 H new ATOM 0 HA THR A 99 0.020 4.763 6.800 1.00 0.00 H new ATOM 0 HB THR A 99 2.279 6.160 5.568 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.289 3.865 4.213 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.456 4.028 6.083 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.430 4.508 7.456 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.893 3.220 6.351 1.00 0.00 H new ATOM 1562 N ASP A 100 0.341 7.087 7.737 1.00 0.00 N ATOM 1563 CA ASP A 100 0.214 8.465 8.278 1.00 0.00 C ATOM 1564 C ASP A 100 1.228 9.402 7.628 1.00 0.00 C ATOM 1565 O ASP A 100 1.908 9.031 6.691 1.00 0.00 O ATOM 1566 CB ASP A 100 0.484 8.418 9.790 1.00 0.00 C ATOM 1567 CG ASP A 100 -0.395 9.452 10.494 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -0.756 10.403 9.822 1.00 0.00 O ATOM 1569 OD2 ASP A 100 -0.655 9.233 11.666 1.00 0.00 O ATOM 0 H ASP A 100 0.588 6.369 8.418 1.00 0.00 H new ATOM 0 HA ASP A 100 -0.789 8.838 8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.274 7.421 10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 100 1.536 8.622 9.989 1.00 0.00 H new ATOM 1574 N GLN A 101 1.311 10.603 8.136 1.00 0.00 N ATOM 1575 CA GLN A 101 2.274 11.575 7.559 1.00 0.00 C ATOM 1576 C GLN A 101 2.339 12.841 8.407 1.00 0.00 C ATOM 1577 O GLN A 101 2.041 12.821 9.585 1.00 0.00 O ATOM 1578 CB GLN A 101 1.796 11.946 6.142 1.00 0.00 C ATOM 1579 CG GLN A 101 2.906 11.634 5.131 1.00 0.00 C ATOM 1580 CD GLN A 101 4.218 12.266 5.600 1.00 0.00 C ATOM 1581 OE1 GLN A 101 4.292 13.563 5.717 1.00 0.00 O flip ATOM 1582 NE2 GLN A 101 5.189 11.584 5.862 1.00 0.00 N flip ATOM 0 H GLN A 101 0.757 10.948 8.920 1.00 0.00 H new ATOM 0 HA GLN A 101 3.266 11.124 7.532 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.894 11.387 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.537 13.004 6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 101 3.026 10.555 5.028 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.636 12.019 4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 101 5.138 10.569 5.773 1.00 0.00 H new ATOM 0 HE22 GLN A 101 6.055 12.026 6.171 1.00 0.00 H new ATOM 1591 N ASN A 102 2.728 13.922 7.789 1.00 0.00 N ATOM 1592 CA ASN A 102 2.821 15.198 8.538 1.00 0.00 C ATOM 1593 C ASN A 102 1.448 15.676 8.971 1.00 0.00 C ATOM 1594 O ASN A 102 0.770 15.017 9.734 1.00 0.00 O ATOM 1595 CB ASN A 102 3.442 16.255 7.614 1.00 0.00 C ATOM 1596 CG ASN A 102 4.929 15.947 7.425 1.00 0.00 C ATOM 1597 OD1 ASN A 102 5.377 14.838 7.640 1.00 0.00 O ATOM 1598 ND2 ASN A 102 5.727 16.899 7.027 1.00 0.00 N ATOM 0 H ASN A 102 2.983 13.973 6.803 1.00 0.00 H new ATOM 0 HA ASN A 102 3.431 15.043 9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.933 16.257 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.316 17.249 8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.721 16.711 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.357 17.832 6.845 1.00 0.00 H new ATOM 1605 N ASP A 103 1.062 16.814 8.482 1.00 0.00 N ATOM 1606 CA ASP A 103 -0.259 17.349 8.856 1.00 0.00 C ATOM 1607 C ASP A 103 -0.443 17.318 10.368 1.00 0.00 C ATOM 1608 O ASP A 103 0.518 17.290 11.110 1.00 0.00 O ATOM 1609 CB ASP A 103 -1.343 16.478 8.201 1.00 0.00 C ATOM 1610 CG ASP A 103 -2.676 17.228 8.219 1.00 0.00 C ATOM 1611 OD1 ASP A 103 -2.665 18.339 8.722 1.00 0.00 O ATOM 1612 OD2 ASP A 103 -3.630 16.647 7.728 1.00 0.00 O ATOM 0 H ASP A 103 1.605 17.393 7.841 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.336 18.382 8.516 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -1.062 16.238 7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.438 15.533 8.735 1.00 0.00 H new ATOM 1617 N ASN A 104 -1.673 17.322 10.798 1.00 0.00 N ATOM 1618 CA ASN A 104 -1.929 17.292 12.258 1.00 0.00 C ATOM 1619 C ASN A 104 -1.468 15.971 12.861 1.00 0.00 C ATOM 1620 O ASN A 104 -0.683 16.045 13.792 1.00 0.00 O ATOM 1621 CB ASN A 104 -3.439 17.440 12.489 1.00 0.00 C ATOM 1622 CG ASN A 104 -4.151 16.184 11.985 1.00 0.00 C ATOM 1623 OD1 ASN A 104 -3.872 15.734 10.792 1.00 0.00 O flip ATOM 1624 ND2 ASN A 104 -4.966 15.601 12.672 1.00 0.00 N flip ATOM 1625 OXT ASN A 104 -1.926 14.959 12.357 1.00 0.00 O ATOM 0 H ASN A 104 -2.503 17.345 10.206 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.378 18.104 12.733 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.644 17.588 13.549 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.814 18.320 11.966 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -5.188 15.948 13.605 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.428 14.764 12.316 1.00 0.00 H new TER 1632 ASN A 104