USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 959 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 NoAdj-H: A 101 HIS HE2 : A 101 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 86 ASN : amide:sc= -0.727 K(o=-0.024,f=-1) USER MOD Set 1.2: A 103 SER OG : rot -60:sc= 0.704 USER MOD Set 2.1: A 56 THR OG1 : rot 141:sc= -0.0814 USER MOD Set 2.2: A 66 SER OG : rot 98:sc= 0.0934 USER MOD Set 3.1: A 25 THR OG1 : rot 180:sc= 0.391 USER MOD Set 3.2: A 40 GLN : amide:sc= 1.29 K(o=1.7,f=-2.7!) USER MOD Set 4.1: A 21 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.087) USER MOD Set 4.2: A 121 GLN :FLIP amide:sc= -0.693 F(o=-2.3!,f=-0.69) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0896 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.438 K(o=-0.44,f=-1.6) USER MOD Single : A 12 ASN : amide:sc= 0.103 K(o=0.1,f=-2.4!) USER MOD Single : A 15 SER OG : rot -17:sc= 0.77 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 20:sc= 0.847 USER MOD Single : A 20 SER OG : rot 78:sc= 1.29 USER MOD Single : A 22 ASN : amide:sc= -3.98! C(o=-4!,f=-11!) USER MOD Single : A 37 MET CE :methyl 139:sc= -3.36! (180deg=-6.35!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 0 (180deg=-1.06) USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= -0.855 (180deg=-3.56!) USER MOD Single : A 61 SER OG : rot 120:sc= 0.00384 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 65:sc= 0.44 USER MOD Single : A 70 THR OG1 : rot -150:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 83 THR OG1 : rot -87:sc= 1.07 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 30:sc= -8.12! USER MOD Single : A 104 MET CE :methyl -130:sc= -0.208 (180deg=-3.74!) USER MOD Single : A 111 LYS NZ :NH3+ -172:sc= -2.38! (180deg=-2.52!) USER MOD Single : A 117 TYR OH : rot 180:sc=-0.00356 USER MOD Single : A 118 LYS NZ :NH3+ 162:sc= -0.0208 (180deg=-0.569) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.382 8.001 -1.819 1.00 0.00 N ATOM 2 CA GLY A 1 21.947 8.176 -1.693 1.00 0.00 C ATOM 3 C GLY A 1 21.485 8.162 -0.250 1.00 0.00 C ATOM 4 O GLY A 1 22.254 7.829 0.652 1.00 0.00 O ATOM 0 H1 GLY A 1 23.810 8.882 -2.169 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.786 7.766 -0.890 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.580 7.230 -2.488 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.657 9.120 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.438 7.384 -2.242 1.00 0.00 H new ATOM 8 N SER A 2 20.226 8.526 -0.029 1.00 0.00 N ATOM 9 CA SER A 2 19.664 8.560 1.316 1.00 0.00 C ATOM 10 C SER A 2 19.070 7.205 1.690 1.00 0.00 C ATOM 11 O SER A 2 17.968 6.859 1.265 1.00 0.00 O ATOM 12 CB SER A 2 18.591 9.645 1.416 1.00 0.00 C ATOM 13 OG SER A 2 19.172 10.937 1.439 1.00 0.00 O ATOM 0 H SER A 2 19.575 8.802 -0.765 1.00 0.00 H new ATOM 0 HA SER A 2 20.469 8.790 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.909 9.565 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.999 9.493 2.318 1.00 0.00 H new ATOM 0 HG SER A 2 18.465 11.613 1.502 1.00 0.00 H new ATOM 19 N SER A 3 19.810 6.442 2.488 1.00 0.00 N ATOM 20 CA SER A 3 19.360 5.123 2.917 1.00 0.00 C ATOM 21 C SER A 3 19.629 4.915 4.405 1.00 0.00 C ATOM 22 O SER A 3 20.464 5.597 4.997 1.00 0.00 O ATOM 23 CB SER A 3 20.059 4.032 2.103 1.00 0.00 C ATOM 24 OG SER A 3 21.462 4.072 2.296 1.00 0.00 O ATOM 0 H SER A 3 20.724 6.714 2.850 1.00 0.00 H new ATOM 0 HA SER A 3 18.285 5.060 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.676 3.054 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.830 4.160 1.045 1.00 0.00 H new ATOM 0 HG SER A 3 21.885 3.364 1.767 1.00 0.00 H new ATOM 30 N GLY A 4 18.914 3.966 5.002 1.00 0.00 N ATOM 31 CA GLY A 4 19.089 3.684 6.415 1.00 0.00 C ATOM 32 C GLY A 4 18.261 2.501 6.876 1.00 0.00 C ATOM 33 O GLY A 4 17.285 2.666 7.607 1.00 0.00 O ATOM 0 H GLY A 4 18.217 3.388 4.533 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.142 3.487 6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.814 4.565 6.995 1.00 0.00 H new ATOM 37 N SER A 5 18.650 1.304 6.448 1.00 0.00 N ATOM 38 CA SER A 5 17.934 0.090 6.817 1.00 0.00 C ATOM 39 C SER A 5 18.908 -1.017 7.212 1.00 0.00 C ATOM 40 O SER A 5 19.959 -1.183 6.593 1.00 0.00 O ATOM 41 CB SER A 5 17.052 -0.380 5.659 1.00 0.00 C ATOM 42 OG SER A 5 16.442 -1.625 5.954 1.00 0.00 O ATOM 0 H SER A 5 19.458 1.150 5.845 1.00 0.00 H new ATOM 0 HA SER A 5 17.302 0.318 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.283 0.366 5.457 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.653 -0.471 4.754 1.00 0.00 H new ATOM 0 HG SER A 5 15.882 -1.902 5.199 1.00 0.00 H new ATOM 48 N SER A 6 18.549 -1.771 8.246 1.00 0.00 N ATOM 49 CA SER A 6 19.392 -2.860 8.726 1.00 0.00 C ATOM 50 C SER A 6 18.882 -4.206 8.220 1.00 0.00 C ATOM 51 O SER A 6 17.786 -4.300 7.669 1.00 0.00 O ATOM 52 CB SER A 6 19.438 -2.861 10.255 1.00 0.00 C ATOM 53 OG SER A 6 18.203 -3.293 10.802 1.00 0.00 O ATOM 0 H SER A 6 17.681 -1.648 8.767 1.00 0.00 H new ATOM 0 HA SER A 6 20.399 -2.705 8.339 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.240 -3.515 10.597 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.668 -1.859 10.616 1.00 0.00 H new ATOM 0 HG SER A 6 18.258 -3.287 11.780 1.00 0.00 H new ATOM 59 N GLY A 7 19.686 -5.247 8.412 1.00 0.00 N ATOM 60 CA GLY A 7 19.300 -6.574 7.970 1.00 0.00 C ATOM 61 C GLY A 7 17.920 -6.969 8.457 1.00 0.00 C ATOM 62 O GLY A 7 17.050 -7.317 7.659 1.00 0.00 O ATOM 0 H GLY A 7 20.598 -5.195 8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 7 19.322 -6.611 6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.030 -7.300 8.329 1.00 0.00 H new ATOM 66 N GLU A 8 17.720 -6.916 9.770 1.00 0.00 N ATOM 67 CA GLU A 8 16.436 -7.274 10.361 1.00 0.00 C ATOM 68 C GLU A 8 15.297 -6.511 9.691 1.00 0.00 C ATOM 69 O GLU A 8 15.528 -5.568 8.935 1.00 0.00 O ATOM 70 CB GLU A 8 16.443 -6.985 11.864 1.00 0.00 C ATOM 71 CG GLU A 8 16.951 -8.144 12.704 1.00 0.00 C ATOM 72 CD GLU A 8 16.391 -9.480 12.255 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.205 -9.751 12.534 1.00 0.00 O ATOM 74 OE2 GLU A 8 17.141 -10.253 11.622 1.00 0.00 O ATOM 0 H GLU A 8 18.430 -6.629 10.444 1.00 0.00 H new ATOM 0 HA GLU A 8 16.278 -8.341 10.204 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.064 -6.110 12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.431 -6.733 12.182 1.00 0.00 H new ATOM 0 HG2 GLU A 8 18.039 -8.175 12.653 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.685 -7.975 13.748 1.00 0.00 H new ATOM 81 N ASN A 9 14.067 -6.928 9.973 1.00 0.00 N ATOM 82 CA ASN A 9 12.891 -6.286 9.397 1.00 0.00 C ATOM 83 C ASN A 9 11.810 -6.082 10.453 1.00 0.00 C ATOM 84 O ASN A 9 11.701 -6.838 11.419 1.00 0.00 O ATOM 85 CB ASN A 9 12.340 -7.125 8.242 1.00 0.00 C ATOM 86 CG ASN A 9 13.418 -7.529 7.255 1.00 0.00 C ATOM 87 OD1 ASN A 9 14.304 -8.321 7.577 1.00 0.00 O ATOM 88 ND2 ASN A 9 13.347 -6.985 6.046 1.00 0.00 N ATOM 0 H ASN A 9 13.859 -7.708 10.597 1.00 0.00 H new ATOM 0 HA ASN A 9 13.191 -5.309 9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 9 11.863 -8.020 8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 9 11.568 -6.559 7.721 1.00 0.00 H new ATOM 0 HD21 ASN A 9 14.045 -7.219 5.340 1.00 0.00 H new ATOM 0 HD22 ASN A 9 12.595 -6.333 5.823 1.00 0.00 H new ATOM 95 N PRO A 10 10.990 -5.037 10.268 1.00 0.00 N ATOM 96 CA PRO A 10 9.902 -4.710 11.194 1.00 0.00 C ATOM 97 C PRO A 10 8.771 -5.731 11.143 1.00 0.00 C ATOM 98 O PRO A 10 8.717 -6.568 10.241 1.00 0.00 O ATOM 99 CB PRO A 10 9.413 -3.346 10.699 1.00 0.00 C ATOM 100 CG PRO A 10 9.784 -3.311 9.257 1.00 0.00 C ATOM 101 CD PRO A 10 11.062 -4.094 9.139 1.00 0.00 C ATOM 0 HA PRO A 10 10.237 -4.708 12.231 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.337 -3.239 10.834 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.886 -2.532 11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.999 -3.750 8.641 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.922 -2.285 8.914 1.00 0.00 H new ATOM 0 HD2 PRO A 10 11.127 -4.615 8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.937 -3.448 9.210 1.00 0.00 H new ATOM 109 N ARG A 11 7.868 -5.656 12.115 1.00 0.00 N ATOM 110 CA ARG A 11 6.738 -6.575 12.181 1.00 0.00 C ATOM 111 C ARG A 11 5.672 -6.201 11.156 1.00 0.00 C ATOM 112 O ARG A 11 5.226 -7.040 10.375 1.00 0.00 O ATOM 113 CB ARG A 11 6.133 -6.573 13.586 1.00 0.00 C ATOM 114 CG ARG A 11 6.998 -7.269 14.623 1.00 0.00 C ATOM 115 CD ARG A 11 6.255 -7.452 15.938 1.00 0.00 C ATOM 116 NE ARG A 11 6.955 -8.360 16.841 1.00 0.00 N ATOM 117 CZ ARG A 11 7.085 -9.663 16.618 1.00 0.00 C ATOM 118 NH1 ARG A 11 6.565 -10.207 15.527 1.00 0.00 N ATOM 119 NH2 ARG A 11 7.737 -10.424 17.488 1.00 0.00 N ATOM 0 H ARG A 11 7.897 -4.968 12.868 1.00 0.00 H new ATOM 0 HA ARG A 11 7.103 -7.576 11.951 1.00 0.00 H new ATOM 0 HB2 ARG A 11 5.965 -5.542 13.898 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.158 -7.059 13.553 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.312 -8.241 14.243 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.903 -6.686 14.794 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.132 -6.483 16.422 1.00 0.00 H new ATOM 0 HD3 ARG A 11 5.255 -7.838 15.739 1.00 0.00 H new ATOM 0 HE ARG A 11 7.367 -7.973 17.690 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.064 -9.625 14.856 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.666 -11.208 15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.139 -10.008 18.328 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.836 -11.424 17.316 1.00 0.00 H new ATOM 133 N ASN A 12 5.269 -4.934 11.164 1.00 0.00 N ATOM 134 CA ASN A 12 4.255 -4.448 10.236 1.00 0.00 C ATOM 135 C ASN A 12 4.365 -5.159 8.890 1.00 0.00 C ATOM 136 O ASN A 12 3.414 -5.792 8.431 1.00 0.00 O ATOM 137 CB ASN A 12 4.395 -2.938 10.040 1.00 0.00 C ATOM 138 CG ASN A 12 4.011 -2.156 11.282 1.00 0.00 C ATOM 139 OD1 ASN A 12 4.605 -2.330 12.346 1.00 0.00 O ATOM 140 ND2 ASN A 12 3.014 -1.289 11.151 1.00 0.00 N ATOM 0 H ASN A 12 5.630 -4.226 11.803 1.00 0.00 H new ATOM 0 HA ASN A 12 3.275 -4.663 10.662 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.425 -2.703 9.770 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.767 -2.623 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.712 -0.734 11.952 1.00 0.00 H new ATOM 0 HD22 ASN A 12 2.550 -1.178 10.249 1.00 0.00 H new ATOM 147 N VAL A 13 5.532 -5.051 8.263 1.00 0.00 N ATOM 148 CA VAL A 13 5.767 -5.684 6.971 1.00 0.00 C ATOM 149 C VAL A 13 5.550 -7.191 7.050 1.00 0.00 C ATOM 150 O VAL A 13 5.812 -7.813 8.078 1.00 0.00 O ATOM 151 CB VAL A 13 7.194 -5.408 6.462 1.00 0.00 C ATOM 152 CG1 VAL A 13 7.469 -3.912 6.427 1.00 0.00 C ATOM 153 CG2 VAL A 13 8.217 -6.126 7.330 1.00 0.00 C ATOM 0 H VAL A 13 6.329 -4.531 8.629 1.00 0.00 H new ATOM 0 HA VAL A 13 5.050 -5.253 6.272 1.00 0.00 H new ATOM 0 HB VAL A 13 7.279 -5.793 5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.482 -3.737 6.065 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.756 -3.427 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.366 -3.500 7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 13 9.220 -5.920 6.956 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.133 -5.773 8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.031 -7.200 7.298 1.00 0.00 H new ATOM 163 N GLY A 14 5.068 -7.772 5.955 1.00 0.00 N ATOM 164 CA GLY A 14 4.824 -9.202 5.921 1.00 0.00 C ATOM 165 C GLY A 14 4.628 -9.723 4.511 1.00 0.00 C ATOM 166 O GLY A 14 5.185 -9.179 3.557 1.00 0.00 O ATOM 0 H GLY A 14 4.842 -7.278 5.092 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.663 -9.722 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.940 -9.431 6.516 1.00 0.00 H new ATOM 170 N SER A 15 3.835 -10.782 4.378 1.00 0.00 N ATOM 171 CA SER A 15 3.572 -11.380 3.074 1.00 0.00 C ATOM 172 C SER A 15 2.285 -12.199 3.103 1.00 0.00 C ATOM 173 O SER A 15 2.139 -13.120 3.908 1.00 0.00 O ATOM 174 CB SER A 15 4.744 -12.267 2.650 1.00 0.00 C ATOM 175 OG SER A 15 5.949 -11.524 2.590 1.00 0.00 O ATOM 0 H SER A 15 3.364 -11.243 5.157 1.00 0.00 H new ATOM 0 HA SER A 15 3.455 -10.575 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.855 -13.090 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.536 -12.709 1.675 1.00 0.00 H new ATOM 0 HG SER A 15 5.742 -10.566 2.566 1.00 0.00 H new ATOM 181 N LEU A 16 1.354 -11.857 2.220 1.00 0.00 N ATOM 182 CA LEU A 16 0.078 -12.560 2.142 1.00 0.00 C ATOM 183 C LEU A 16 0.052 -13.514 0.952 1.00 0.00 C ATOM 184 O LEU A 16 0.902 -13.437 0.064 1.00 0.00 O ATOM 185 CB LEU A 16 -1.073 -11.558 2.031 1.00 0.00 C ATOM 186 CG LEU A 16 -1.226 -10.580 3.197 1.00 0.00 C ATOM 187 CD1 LEU A 16 -2.063 -9.380 2.781 1.00 0.00 C ATOM 188 CD2 LEU A 16 -1.847 -11.276 4.399 1.00 0.00 C ATOM 0 H LEU A 16 1.458 -11.097 1.548 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.042 -13.144 3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.940 -10.982 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.004 -12.115 1.925 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.235 -10.225 3.481 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.161 -8.695 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.577 -8.867 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.052 -9.716 2.470 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.948 -10.565 5.219 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.830 -11.661 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.208 -12.102 4.712 1.00 0.00 H new ATOM 200 N ASP A 17 -0.928 -14.410 0.939 1.00 0.00 N ATOM 201 CA ASP A 17 -1.066 -15.377 -0.144 1.00 0.00 C ATOM 202 C ASP A 17 -1.408 -14.678 -1.456 1.00 0.00 C ATOM 203 O ASP A 17 -2.534 -14.221 -1.654 1.00 0.00 O ATOM 204 CB ASP A 17 -2.146 -16.405 0.197 1.00 0.00 C ATOM 205 CG ASP A 17 -2.013 -17.676 -0.619 1.00 0.00 C ATOM 206 OD1 ASP A 17 -0.956 -18.335 -0.522 1.00 0.00 O ATOM 207 OD2 ASP A 17 -2.965 -18.012 -1.354 1.00 0.00 O ATOM 0 H ASP A 17 -1.639 -14.487 1.666 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.112 -15.890 -0.264 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.089 -16.650 1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.129 -15.966 0.024 1.00 0.00 H new ATOM 212 N LYS A 18 -0.428 -14.597 -2.350 1.00 0.00 N ATOM 213 CA LYS A 18 -0.623 -13.954 -3.644 1.00 0.00 C ATOM 214 C LYS A 18 -1.441 -14.844 -4.575 1.00 0.00 C ATOM 215 O LYS A 18 -1.969 -14.381 -5.587 1.00 0.00 O ATOM 216 CB LYS A 18 0.728 -13.632 -4.285 1.00 0.00 C ATOM 217 CG LYS A 18 1.258 -14.741 -5.177 1.00 0.00 C ATOM 218 CD LYS A 18 1.717 -15.940 -4.364 1.00 0.00 C ATOM 219 CE LYS A 18 3.112 -15.727 -3.795 1.00 0.00 C ATOM 220 NZ LYS A 18 4.171 -16.047 -4.791 1.00 0.00 N ATOM 0 H LYS A 18 0.510 -14.969 -2.202 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.171 -13.026 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.633 -12.719 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.455 -13.431 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.480 -15.050 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.090 -14.364 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.014 -16.120 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.711 -16.831 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.218 -14.691 -3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.243 -16.352 -2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.107 -15.889 -4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.086 -17.042 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.061 -15.433 -5.623 1.00 0.00 H new ATOM 234 N THR A 19 -1.542 -16.123 -4.227 1.00 0.00 N ATOM 235 CA THR A 19 -2.295 -17.076 -5.031 1.00 0.00 C ATOM 236 C THR A 19 -3.784 -17.014 -4.708 1.00 0.00 C ATOM 237 O THR A 19 -4.573 -17.812 -5.213 1.00 0.00 O ATOM 238 CB THR A 19 -1.794 -18.516 -4.812 1.00 0.00 C ATOM 239 OG1 THR A 19 -1.891 -18.863 -3.426 1.00 0.00 O ATOM 240 CG2 THR A 19 -0.353 -18.664 -5.277 1.00 0.00 C ATOM 0 H THR A 19 -1.111 -16.522 -3.393 1.00 0.00 H new ATOM 0 HA THR A 19 -2.140 -16.800 -6.074 1.00 0.00 H new ATOM 0 HB THR A 19 -2.420 -19.188 -5.399 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.524 -18.261 -2.981 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.021 -19.689 -5.112 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.287 -18.427 -6.339 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.283 -17.982 -4.713 1.00 0.00 H new ATOM 248 N SER A 20 -4.161 -16.060 -3.863 1.00 0.00 N ATOM 249 CA SER A 20 -5.556 -15.896 -3.469 1.00 0.00 C ATOM 250 C SER A 20 -6.170 -14.672 -4.143 1.00 0.00 C ATOM 251 O SER A 20 -5.459 -13.766 -4.579 1.00 0.00 O ATOM 252 CB SER A 20 -5.667 -15.764 -1.949 1.00 0.00 C ATOM 253 OG SER A 20 -5.487 -17.018 -1.314 1.00 0.00 O ATOM 0 H SER A 20 -3.521 -15.389 -3.438 1.00 0.00 H new ATOM 0 HA SER A 20 -6.105 -16.781 -3.791 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.919 -15.059 -1.586 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.643 -15.357 -1.686 1.00 0.00 H new ATOM 0 HG SER A 20 -4.532 -17.236 -1.286 1.00 0.00 H new ATOM 259 N LYS A 21 -7.496 -14.653 -4.225 1.00 0.00 N ATOM 260 CA LYS A 21 -8.208 -13.542 -4.844 1.00 0.00 C ATOM 261 C LYS A 21 -8.667 -12.536 -3.793 1.00 0.00 C ATOM 262 O LYS A 21 -8.576 -11.326 -3.996 1.00 0.00 O ATOM 263 CB LYS A 21 -9.415 -14.058 -5.632 1.00 0.00 C ATOM 264 CG LYS A 21 -10.405 -14.839 -4.785 1.00 0.00 C ATOM 265 CD LYS A 21 -11.488 -13.936 -4.218 1.00 0.00 C ATOM 266 CE LYS A 21 -12.152 -14.560 -3.001 1.00 0.00 C ATOM 267 NZ LYS A 21 -12.909 -13.554 -2.206 1.00 0.00 N ATOM 0 H LYS A 21 -8.099 -15.395 -3.870 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.523 -13.040 -5.527 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.929 -13.212 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.063 -14.694 -6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.863 -15.623 -5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.877 -15.332 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.055 -12.974 -3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.239 -13.741 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.828 -15.352 -3.322 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.393 -15.024 -2.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.939 -13.850 -1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.438 -12.629 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.879 -13.479 -2.574 1.00 0.00 H new ATOM 281 N ASN A 22 -9.159 -13.046 -2.668 1.00 0.00 N ATOM 282 CA ASN A 22 -9.631 -12.192 -1.584 1.00 0.00 C ATOM 283 C ASN A 22 -8.586 -11.141 -1.225 1.00 0.00 C ATOM 284 O ASN A 22 -8.918 -10.060 -0.739 1.00 0.00 O ATOM 285 CB ASN A 22 -9.967 -13.035 -0.352 1.00 0.00 C ATOM 286 CG ASN A 22 -8.744 -13.709 0.238 1.00 0.00 C ATOM 287 OD1 ASN A 22 -7.760 -13.955 -0.459 1.00 0.00 O ATOM 288 ND2 ASN A 22 -8.800 -14.011 1.530 1.00 0.00 N ATOM 0 H ASN A 22 -9.241 -14.046 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 22 -10.532 -11.681 -1.923 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.429 -12.400 0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.701 -13.794 -0.623 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.007 -14.465 1.982 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.636 -13.789 2.070 1.00 0.00 H new ATOM 295 N VAL A 23 -7.320 -11.465 -1.469 1.00 0.00 N ATOM 296 CA VAL A 23 -6.225 -10.549 -1.174 1.00 0.00 C ATOM 297 C VAL A 23 -5.577 -10.035 -2.455 1.00 0.00 C ATOM 298 O VAL A 23 -5.119 -10.816 -3.288 1.00 0.00 O ATOM 299 CB VAL A 23 -5.149 -11.223 -0.302 1.00 0.00 C ATOM 300 CG1 VAL A 23 -4.897 -12.648 -0.771 1.00 0.00 C ATOM 301 CG2 VAL A 23 -3.862 -10.412 -0.323 1.00 0.00 C ATOM 0 H VAL A 23 -7.027 -12.356 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.654 -9.710 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.511 -11.262 0.725 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.134 -13.108 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.820 -13.223 -0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.556 -12.635 -1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.113 -10.903 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.494 -10.340 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.056 -9.412 0.064 1.00 0.00 H new ATOM 311 N GLY A 24 -5.543 -8.714 -2.606 1.00 0.00 N ATOM 312 CA GLY A 24 -4.949 -8.118 -3.788 1.00 0.00 C ATOM 313 C GLY A 24 -3.452 -7.924 -3.650 1.00 0.00 C ATOM 314 O GLY A 24 -2.922 -7.892 -2.539 1.00 0.00 O ATOM 0 H GLY A 24 -5.916 -8.047 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.152 -8.751 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.421 -7.155 -3.981 1.00 0.00 H new ATOM 318 N THR A 25 -2.766 -7.795 -4.781 1.00 0.00 N ATOM 319 CA THR A 25 -1.321 -7.607 -4.782 1.00 0.00 C ATOM 320 C THR A 25 -0.924 -6.409 -5.638 1.00 0.00 C ATOM 321 O THR A 25 -1.085 -6.424 -6.857 1.00 0.00 O ATOM 322 CB THR A 25 -0.591 -8.859 -5.303 1.00 0.00 C ATOM 323 OG1 THR A 25 -1.058 -10.022 -4.608 1.00 0.00 O ATOM 324 CG2 THR A 25 0.913 -8.724 -5.121 1.00 0.00 C ATOM 0 H THR A 25 -3.189 -7.817 -5.709 1.00 0.00 H new ATOM 0 HA THR A 25 -1.025 -7.427 -3.748 1.00 0.00 H new ATOM 0 HB THR A 25 -0.804 -8.961 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.591 -10.814 -4.946 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.407 -9.620 -5.496 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.270 -7.855 -5.674 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.142 -8.600 -4.063 1.00 0.00 H new ATOM 332 N GLY A 26 -0.403 -5.371 -4.989 1.00 0.00 N ATOM 333 CA GLY A 26 0.011 -4.180 -5.707 1.00 0.00 C ATOM 334 C GLY A 26 1.488 -3.885 -5.540 1.00 0.00 C ATOM 335 O GLY A 26 1.932 -3.495 -4.459 1.00 0.00 O ATOM 0 H GLY A 26 -0.261 -5.334 -3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.214 -4.302 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.569 -3.327 -5.354 1.00 0.00 H new ATOM 339 N LEU A 27 2.252 -4.073 -6.610 1.00 0.00 N ATOM 340 CA LEU A 27 3.689 -3.825 -6.577 1.00 0.00 C ATOM 341 C LEU A 27 4.052 -2.605 -7.417 1.00 0.00 C ATOM 342 O LEU A 27 3.803 -2.573 -8.622 1.00 0.00 O ATOM 343 CB LEU A 27 4.450 -5.052 -7.084 1.00 0.00 C ATOM 344 CG LEU A 27 5.975 -4.944 -7.085 1.00 0.00 C ATOM 345 CD1 LEU A 27 6.482 -4.534 -5.711 1.00 0.00 C ATOM 346 CD2 LEU A 27 6.603 -6.261 -7.516 1.00 0.00 C ATOM 0 H LEU A 27 1.901 -4.396 -7.511 1.00 0.00 H new ATOM 0 HA LEU A 27 3.974 -3.629 -5.544 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.167 -5.908 -6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.120 -5.264 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 27 6.265 -4.175 -7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.569 -4.462 -5.731 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.059 -3.566 -5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.181 -5.279 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.689 -6.165 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.305 -7.050 -6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.266 -6.513 -8.521 1.00 0.00 H new ATOM 358 N VAL A 28 4.643 -1.604 -6.773 1.00 0.00 N ATOM 359 CA VAL A 28 5.043 -0.383 -7.462 1.00 0.00 C ATOM 360 C VAL A 28 6.375 0.136 -6.931 1.00 0.00 C ATOM 361 O VAL A 28 6.494 0.484 -5.757 1.00 0.00 O ATOM 362 CB VAL A 28 3.979 0.720 -7.313 1.00 0.00 C ATOM 363 CG1 VAL A 28 2.677 0.300 -7.978 1.00 0.00 C ATOM 364 CG2 VAL A 28 3.755 1.049 -5.844 1.00 0.00 C ATOM 0 H VAL A 28 4.855 -1.614 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 28 5.149 -0.635 -8.517 1.00 0.00 H new ATOM 0 HB VAL A 28 4.340 1.619 -7.812 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.937 1.092 -7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.852 0.119 -9.039 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.307 -0.613 -7.510 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.000 1.830 -5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.415 0.156 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.689 1.396 -5.402 1.00 0.00 H new ATOM 374 N GLY A 29 7.375 0.187 -7.805 1.00 0.00 N ATOM 375 CA GLY A 29 8.686 0.665 -7.406 1.00 0.00 C ATOM 376 C GLY A 29 9.112 1.899 -8.176 1.00 0.00 C ATOM 377 O GLY A 29 8.374 2.393 -9.028 1.00 0.00 O ATOM 0 H GLY A 29 7.301 -0.094 -8.783 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.678 0.891 -6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.420 -0.126 -7.559 1.00 0.00 H new ATOM 381 N ALA A 30 10.306 2.400 -7.876 1.00 0.00 N ATOM 382 CA ALA A 30 10.829 3.584 -8.546 1.00 0.00 C ATOM 383 C ALA A 30 11.922 3.213 -9.542 1.00 0.00 C ATOM 384 O ALA A 30 12.869 2.494 -9.222 1.00 0.00 O ATOM 385 CB ALA A 30 11.359 4.578 -7.524 1.00 0.00 C ATOM 0 H ALA A 30 10.930 2.004 -7.173 1.00 0.00 H new ATOM 0 HA ALA A 30 10.013 4.049 -9.099 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.746 5.457 -8.039 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.553 4.876 -6.854 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.158 4.114 -6.946 1.00 0.00 H new ATOM 391 N PRO A 31 11.790 3.711 -10.780 1.00 0.00 N ATOM 392 CA PRO A 31 12.757 3.445 -11.849 1.00 0.00 C ATOM 393 C PRO A 31 14.094 4.138 -11.607 1.00 0.00 C ATOM 394 O PRO A 31 15.152 3.518 -11.705 1.00 0.00 O ATOM 395 CB PRO A 31 12.076 4.017 -13.095 1.00 0.00 C ATOM 396 CG PRO A 31 11.153 5.064 -12.575 1.00 0.00 C ATOM 397 CD PRO A 31 10.685 4.575 -11.232 1.00 0.00 C ATOM 0 HA PRO A 31 12.997 2.384 -11.927 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.805 4.440 -13.786 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.532 3.245 -13.639 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.663 6.023 -12.485 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.311 5.213 -13.251 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.512 5.401 -10.542 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.749 4.023 -11.309 1.00 0.00 H new ATOM 405 N ALA A 32 14.038 5.427 -11.289 1.00 0.00 N ATOM 406 CA ALA A 32 15.244 6.203 -11.030 1.00 0.00 C ATOM 407 C ALA A 32 15.893 5.787 -9.715 1.00 0.00 C ATOM 408 O ALA A 32 16.978 5.204 -9.703 1.00 0.00 O ATOM 409 CB ALA A 32 14.922 7.690 -11.014 1.00 0.00 C ATOM 0 H ALA A 32 13.170 5.956 -11.205 1.00 0.00 H new ATOM 0 HA ALA A 32 15.953 6.004 -11.834 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.832 8.257 -10.819 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.511 7.984 -11.980 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.192 7.896 -10.231 1.00 0.00 H new ATOM 415 N CYS A 33 15.223 6.090 -8.608 1.00 0.00 N ATOM 416 CA CYS A 33 15.735 5.749 -7.286 1.00 0.00 C ATOM 417 C CYS A 33 15.997 4.249 -7.175 1.00 0.00 C ATOM 418 O CYS A 33 16.968 3.823 -6.552 1.00 0.00 O ATOM 419 CB CYS A 33 14.745 6.186 -6.204 1.00 0.00 C ATOM 420 SG CYS A 33 15.432 6.167 -4.517 1.00 0.00 S ATOM 0 H CYS A 33 14.324 6.571 -8.600 1.00 0.00 H new ATOM 0 HA CYS A 33 16.678 6.277 -7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 33 14.396 7.193 -6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 33 13.874 5.531 -6.238 1.00 0.00 H new ATOM 425 N GLY A 34 15.122 3.454 -7.784 1.00 0.00 N ATOM 426 CA GLY A 34 15.276 2.012 -7.742 1.00 0.00 C ATOM 427 C GLY A 34 14.741 1.409 -6.458 1.00 0.00 C ATOM 428 O GLY A 34 15.491 0.812 -5.685 1.00 0.00 O ATOM 0 H GLY A 34 14.310 3.783 -8.305 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.756 1.569 -8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.331 1.759 -7.847 1.00 0.00 H new ATOM 432 N ASP A 35 13.442 1.566 -6.229 1.00 0.00 N ATOM 433 CA ASP A 35 12.808 1.033 -5.030 1.00 0.00 C ATOM 434 C ASP A 35 11.794 -0.050 -5.387 1.00 0.00 C ATOM 435 O ASP A 35 11.321 -0.123 -6.521 1.00 0.00 O ATOM 436 CB ASP A 35 12.121 2.154 -4.249 1.00 0.00 C ATOM 437 CG ASP A 35 13.037 3.339 -4.011 1.00 0.00 C ATOM 438 OD1 ASP A 35 14.270 3.144 -4.003 1.00 0.00 O ATOM 439 OD2 ASP A 35 12.520 4.462 -3.835 1.00 0.00 O ATOM 0 H ASP A 35 12.808 2.058 -6.858 1.00 0.00 H new ATOM 0 HA ASP A 35 13.583 0.588 -4.406 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.238 2.485 -4.795 1.00 0.00 H new ATOM 0 HB3 ASP A 35 11.776 1.767 -3.290 1.00 0.00 H new ATOM 444 N VAL A 36 11.465 -0.890 -4.411 1.00 0.00 N ATOM 445 CA VAL A 36 10.507 -1.970 -4.622 1.00 0.00 C ATOM 446 C VAL A 36 9.511 -2.053 -3.471 1.00 0.00 C ATOM 447 O VAL A 36 9.791 -2.659 -2.437 1.00 0.00 O ATOM 448 CB VAL A 36 11.217 -3.328 -4.772 1.00 0.00 C ATOM 449 CG1 VAL A 36 10.225 -4.406 -5.183 1.00 0.00 C ATOM 450 CG2 VAL A 36 12.354 -3.227 -5.777 1.00 0.00 C ATOM 0 H VAL A 36 11.847 -0.844 -3.466 1.00 0.00 H new ATOM 0 HA VAL A 36 9.973 -1.744 -5.545 1.00 0.00 H new ATOM 0 HB VAL A 36 11.640 -3.606 -3.807 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.744 -5.359 -5.284 1.00 0.00 H new ATOM 0 HG12 VAL A 36 9.449 -4.495 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 36 9.770 -4.138 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 36 12.844 -4.196 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 36 11.957 -2.927 -6.747 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.077 -2.486 -5.435 1.00 0.00 H new ATOM 460 N MET A 37 8.346 -1.440 -3.659 1.00 0.00 N ATOM 461 CA MET A 37 7.307 -1.447 -2.636 1.00 0.00 C ATOM 462 C MET A 37 6.222 -2.466 -2.970 1.00 0.00 C ATOM 463 O MET A 37 5.379 -2.230 -3.835 1.00 0.00 O ATOM 464 CB MET A 37 6.689 -0.054 -2.498 1.00 0.00 C ATOM 465 CG MET A 37 6.072 0.205 -1.133 1.00 0.00 C ATOM 466 SD MET A 37 4.343 -0.297 -1.045 1.00 0.00 S ATOM 467 CE MET A 37 3.558 1.262 -0.640 1.00 0.00 C ATOM 0 H MET A 37 8.099 -0.933 -4.509 1.00 0.00 H new ATOM 0 HA MET A 37 7.766 -1.729 -1.689 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.457 0.696 -2.689 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.923 0.072 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 37 6.641 -0.332 -0.374 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.150 1.267 -0.899 1.00 0.00 H new ATOM 0 HE1 MET A 37 2.634 1.363 -1.210 1.00 0.00 H new ATOM 0 HE2 MET A 37 3.332 1.289 0.426 1.00 0.00 H new ATOM 0 HE3 MET A 37 4.230 2.083 -0.890 1.00 0.00 H new ATOM 477 N LYS A 38 6.250 -3.601 -2.278 1.00 0.00 N ATOM 478 CA LYS A 38 5.269 -4.656 -2.500 1.00 0.00 C ATOM 479 C LYS A 38 4.120 -4.549 -1.503 1.00 0.00 C ATOM 480 O LYS A 38 4.277 -4.866 -0.323 1.00 0.00 O ATOM 481 CB LYS A 38 5.933 -6.030 -2.384 1.00 0.00 C ATOM 482 CG LYS A 38 5.000 -7.186 -2.699 1.00 0.00 C ATOM 483 CD LYS A 38 4.908 -7.436 -4.195 1.00 0.00 C ATOM 484 CE LYS A 38 4.352 -8.820 -4.496 1.00 0.00 C ATOM 485 NZ LYS A 38 4.628 -9.235 -5.899 1.00 0.00 N ATOM 0 H LYS A 38 6.942 -3.813 -1.559 1.00 0.00 H new ATOM 0 HA LYS A 38 4.866 -4.538 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.787 -6.069 -3.060 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.321 -6.152 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.355 -8.088 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.007 -6.972 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.271 -6.679 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.896 -7.334 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.790 -9.545 -3.810 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.276 -8.825 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.234 -10.183 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.188 -8.558 -6.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.655 -9.255 -6.059 1.00 0.00 H new ATOM 499 N LEU A 39 2.965 -4.103 -1.984 1.00 0.00 N ATOM 500 CA LEU A 39 1.788 -3.955 -1.135 1.00 0.00 C ATOM 501 C LEU A 39 0.858 -5.156 -1.280 1.00 0.00 C ATOM 502 O LEU A 39 0.749 -5.741 -2.357 1.00 0.00 O ATOM 503 CB LEU A 39 1.038 -2.670 -1.488 1.00 0.00 C ATOM 504 CG LEU A 39 0.260 -2.012 -0.347 1.00 0.00 C ATOM 505 CD1 LEU A 39 1.205 -1.271 0.585 1.00 0.00 C ATOM 506 CD2 LEU A 39 -0.798 -1.068 -0.898 1.00 0.00 C ATOM 0 H LEU A 39 2.818 -3.837 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 39 2.122 -3.900 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.757 -1.948 -1.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.341 -2.890 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.241 -2.794 0.224 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.634 -0.809 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.925 -1.973 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.735 -0.499 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.342 -0.609 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.318 -0.291 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.494 -1.627 -1.524 1.00 0.00 H new ATOM 518 N GLN A 40 0.191 -5.516 -0.189 1.00 0.00 N ATOM 519 CA GLN A 40 -0.731 -6.646 -0.196 1.00 0.00 C ATOM 520 C GLN A 40 -1.783 -6.497 0.898 1.00 0.00 C ATOM 521 O GLN A 40 -1.453 -6.389 2.079 1.00 0.00 O ATOM 522 CB GLN A 40 0.035 -7.957 -0.008 1.00 0.00 C ATOM 523 CG GLN A 40 0.548 -8.554 -1.308 1.00 0.00 C ATOM 524 CD GLN A 40 0.932 -10.014 -1.169 1.00 0.00 C ATOM 525 OE1 GLN A 40 1.516 -10.421 -0.165 1.00 0.00 O ATOM 526 NE2 GLN A 40 0.605 -10.811 -2.180 1.00 0.00 N ATOM 0 H GLN A 40 0.271 -5.042 0.711 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.237 -6.664 -1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.879 -7.783 0.660 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.616 -8.681 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.219 -8.456 -2.076 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.414 -7.985 -1.648 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.121 -10.431 -2.993 1.00 0.00 H new ATOM 0 HE22 GLN A 40 0.838 -11.803 -2.143 1.00 0.00 H new ATOM 535 N ILE A 41 -3.050 -6.492 0.496 1.00 0.00 N ATOM 536 CA ILE A 41 -4.150 -6.357 1.443 1.00 0.00 C ATOM 537 C ILE A 41 -5.169 -7.477 1.264 1.00 0.00 C ATOM 538 O ILE A 41 -5.511 -7.845 0.140 1.00 0.00 O ATOM 539 CB ILE A 41 -4.862 -5.001 1.288 1.00 0.00 C ATOM 540 CG1 ILE A 41 -5.542 -4.910 -0.080 1.00 0.00 C ATOM 541 CG2 ILE A 41 -3.873 -3.859 1.471 1.00 0.00 C ATOM 542 CD1 ILE A 41 -6.977 -5.390 -0.074 1.00 0.00 C ATOM 0 H ILE A 41 -3.340 -6.580 -0.478 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.717 -6.419 2.441 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.628 -4.920 2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.515 -3.876 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.973 -5.499 -0.800 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.392 -2.907 1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.431 -3.916 2.466 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.087 -3.935 0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.396 -5.297 -1.076 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -7.010 -6.434 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.560 -4.785 0.621 1.00 0.00 H new ATOM 554 N GLN A 42 -5.652 -8.014 2.380 1.00 0.00 N ATOM 555 CA GLN A 42 -6.634 -9.092 2.346 1.00 0.00 C ATOM 556 C GLN A 42 -8.040 -8.555 2.595 1.00 0.00 C ATOM 557 O GLN A 42 -8.333 -8.024 3.666 1.00 0.00 O ATOM 558 CB GLN A 42 -6.290 -10.156 3.389 1.00 0.00 C ATOM 559 CG GLN A 42 -6.970 -11.493 3.140 1.00 0.00 C ATOM 560 CD GLN A 42 -6.912 -12.410 4.346 1.00 0.00 C ATOM 561 OE1 GLN A 42 -7.830 -12.434 5.166 1.00 0.00 O ATOM 562 NE2 GLN A 42 -5.831 -13.172 4.460 1.00 0.00 N ATOM 0 H GLN A 42 -5.380 -7.721 3.318 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.607 -9.543 1.354 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.210 -10.304 3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.574 -9.791 4.376 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.012 -11.322 2.868 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.496 -11.985 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.094 -13.120 3.757 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.738 -13.810 5.251 1.00 0.00 H new ATOM 571 N VAL A 43 -8.907 -8.697 1.597 1.00 0.00 N ATOM 572 CA VAL A 43 -10.283 -8.228 1.708 1.00 0.00 C ATOM 573 C VAL A 43 -11.205 -9.338 2.198 1.00 0.00 C ATOM 574 O VAL A 43 -11.056 -10.498 1.814 1.00 0.00 O ATOM 575 CB VAL A 43 -10.806 -7.699 0.359 1.00 0.00 C ATOM 576 CG1 VAL A 43 -12.244 -7.220 0.494 1.00 0.00 C ATOM 577 CG2 VAL A 43 -9.911 -6.584 -0.159 1.00 0.00 C ATOM 0 H VAL A 43 -8.681 -9.133 0.703 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.282 -7.415 2.434 1.00 0.00 H new ATOM 0 HB VAL A 43 -10.786 -8.515 -0.363 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.596 -6.850 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -12.875 -8.048 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.293 -6.418 1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.295 -6.222 -1.113 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.896 -5.765 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.899 -6.964 -0.297 1.00 0.00 H new ATOM 587 N ASP A 44 -12.159 -8.976 3.048 1.00 0.00 N ATOM 588 CA ASP A 44 -13.108 -9.941 3.590 1.00 0.00 C ATOM 589 C ASP A 44 -14.397 -9.953 2.775 1.00 0.00 C ATOM 590 O ASP A 44 -14.573 -9.145 1.863 1.00 0.00 O ATOM 591 CB ASP A 44 -13.418 -9.618 5.053 1.00 0.00 C ATOM 592 CG ASP A 44 -14.103 -10.767 5.767 1.00 0.00 C ATOM 593 OD1 ASP A 44 -13.496 -11.855 5.860 1.00 0.00 O ATOM 594 OD2 ASP A 44 -15.246 -10.578 6.233 1.00 0.00 O ATOM 0 H ASP A 44 -12.296 -8.020 3.377 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.654 -10.930 3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.492 -9.372 5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.054 -8.734 5.100 1.00 0.00 H new ATOM 599 N GLU A 45 -15.295 -10.875 3.110 1.00 0.00 N ATOM 600 CA GLU A 45 -16.567 -10.992 2.406 1.00 0.00 C ATOM 601 C GLU A 45 -17.310 -9.659 2.399 1.00 0.00 C ATOM 602 O GLU A 45 -17.997 -9.323 1.435 1.00 0.00 O ATOM 603 CB GLU A 45 -17.437 -12.069 3.057 1.00 0.00 C ATOM 604 CG GLU A 45 -18.011 -11.658 4.402 1.00 0.00 C ATOM 605 CD GLU A 45 -18.950 -12.700 4.979 1.00 0.00 C ATOM 606 OE1 GLU A 45 -19.630 -13.388 4.191 1.00 0.00 O ATOM 607 OE2 GLU A 45 -19.003 -12.827 6.221 1.00 0.00 O ATOM 0 H GLU A 45 -15.165 -11.551 3.863 1.00 0.00 H new ATOM 0 HA GLU A 45 -16.358 -11.277 1.375 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.256 -12.318 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.844 -12.974 3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.195 -11.482 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.545 -10.714 4.292 1.00 0.00 H new ATOM 614 N LYS A 46 -17.166 -8.903 3.482 1.00 0.00 N ATOM 615 CA LYS A 46 -17.821 -7.606 3.603 1.00 0.00 C ATOM 616 C LYS A 46 -17.137 -6.566 2.721 1.00 0.00 C ATOM 617 O LYS A 46 -17.746 -5.571 2.331 1.00 0.00 O ATOM 618 CB LYS A 46 -17.811 -7.139 5.060 1.00 0.00 C ATOM 619 CG LYS A 46 -18.554 -8.071 6.002 1.00 0.00 C ATOM 620 CD LYS A 46 -19.161 -7.313 7.172 1.00 0.00 C ATOM 621 CE LYS A 46 -20.113 -8.191 7.970 1.00 0.00 C ATOM 622 NZ LYS A 46 -20.243 -7.728 9.379 1.00 0.00 N ATOM 0 H LYS A 46 -16.601 -9.167 4.289 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.853 -7.717 3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.778 -7.044 5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.257 -6.146 5.118 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.341 -8.590 5.456 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.870 -8.833 6.376 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.366 -6.950 7.824 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.695 -6.438 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -21.094 -8.189 7.495 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.755 -9.220 7.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -20.900 -8.352 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -19.311 -7.754 9.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -20.609 -6.755 9.392 1.00 0.00 H new ATOM 636 N GLY A 47 -15.867 -6.806 2.407 1.00 0.00 N ATOM 637 CA GLY A 47 -15.122 -5.882 1.572 1.00 0.00 C ATOM 638 C GLY A 47 -14.286 -4.912 2.383 1.00 0.00 C ATOM 639 O GLY A 47 -13.992 -3.806 1.931 1.00 0.00 O ATOM 0 H GLY A 47 -15.341 -7.624 2.716 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.472 -6.445 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.817 -5.322 0.946 1.00 0.00 H new ATOM 643 N LYS A 48 -13.904 -5.326 3.586 1.00 0.00 N ATOM 644 CA LYS A 48 -13.097 -4.486 4.464 1.00 0.00 C ATOM 645 C LYS A 48 -11.707 -5.083 4.662 1.00 0.00 C ATOM 646 O LYS A 48 -11.569 -6.259 5.001 1.00 0.00 O ATOM 647 CB LYS A 48 -13.788 -4.317 5.819 1.00 0.00 C ATOM 648 CG LYS A 48 -13.176 -3.228 6.682 1.00 0.00 C ATOM 649 CD LYS A 48 -12.082 -3.779 7.583 1.00 0.00 C ATOM 650 CE LYS A 48 -12.640 -4.233 8.923 1.00 0.00 C ATOM 651 NZ LYS A 48 -11.648 -5.031 9.694 1.00 0.00 N ATOM 0 H LYS A 48 -14.140 -6.238 3.976 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.990 -3.509 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.841 -4.090 5.654 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.747 -5.263 6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.764 -2.446 6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.953 -2.766 7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.591 -4.617 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.322 -3.014 7.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.938 -3.362 9.506 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.538 -4.829 8.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.137 -5.795 10.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.950 -5.441 9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.163 -4.415 10.377 1.00 0.00 H new ATOM 665 N ILE A 49 -10.682 -4.266 4.449 1.00 0.00 N ATOM 666 CA ILE A 49 -9.303 -4.713 4.606 1.00 0.00 C ATOM 667 C ILE A 49 -9.030 -5.158 6.039 1.00 0.00 C ATOM 668 O ILE A 49 -8.999 -4.340 6.959 1.00 0.00 O ATOM 669 CB ILE A 49 -8.305 -3.605 4.225 1.00 0.00 C ATOM 670 CG1 ILE A 49 -8.428 -3.266 2.738 1.00 0.00 C ATOM 671 CG2 ILE A 49 -6.884 -4.034 4.560 1.00 0.00 C ATOM 672 CD1 ILE A 49 -8.104 -1.823 2.418 1.00 0.00 C ATOM 0 H ILE A 49 -10.780 -3.291 4.167 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.167 -5.559 3.933 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.540 -2.711 4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.761 -3.914 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.443 -3.484 2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.190 -3.240 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.806 -4.230 5.629 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.637 -4.940 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.212 -1.655 1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.787 -1.168 2.959 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -7.079 -1.605 2.718 1.00 0.00 H new ATOM 684 N VAL A 50 -8.830 -6.459 6.221 1.00 0.00 N ATOM 685 CA VAL A 50 -8.556 -7.013 7.542 1.00 0.00 C ATOM 686 C VAL A 50 -7.057 -7.177 7.769 1.00 0.00 C ATOM 687 O VAL A 50 -6.575 -7.075 8.897 1.00 0.00 O ATOM 688 CB VAL A 50 -9.245 -8.377 7.732 1.00 0.00 C ATOM 689 CG1 VAL A 50 -10.753 -8.205 7.832 1.00 0.00 C ATOM 690 CG2 VAL A 50 -8.882 -9.320 6.596 1.00 0.00 C ATOM 0 H VAL A 50 -8.852 -7.149 5.471 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.956 -6.308 8.270 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.891 -8.816 8.665 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -11.222 -9.180 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.991 -7.568 8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.128 -7.744 6.918 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.378 -10.279 6.747 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.205 -8.889 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.802 -9.469 6.577 1.00 0.00 H new ATOM 700 N ASP A 51 -6.325 -7.430 6.689 1.00 0.00 N ATOM 701 CA ASP A 51 -4.880 -7.607 6.770 1.00 0.00 C ATOM 702 C ASP A 51 -4.169 -6.747 5.729 1.00 0.00 C ATOM 703 O ASP A 51 -4.528 -6.756 4.552 1.00 0.00 O ATOM 704 CB ASP A 51 -4.513 -9.078 6.571 1.00 0.00 C ATOM 705 CG ASP A 51 -5.008 -9.956 7.703 1.00 0.00 C ATOM 706 OD1 ASP A 51 -6.235 -10.174 7.792 1.00 0.00 O ATOM 707 OD2 ASP A 51 -4.169 -10.426 8.500 1.00 0.00 O ATOM 0 H ASP A 51 -6.709 -7.517 5.748 1.00 0.00 H new ATOM 0 HA ASP A 51 -4.554 -7.291 7.761 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.935 -9.431 5.630 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.430 -9.172 6.489 1.00 0.00 H new ATOM 712 N ALA A 52 -3.160 -6.005 6.172 1.00 0.00 N ATOM 713 CA ALA A 52 -2.398 -5.140 5.279 1.00 0.00 C ATOM 714 C ALA A 52 -0.898 -5.352 5.458 1.00 0.00 C ATOM 715 O ALA A 52 -0.385 -5.311 6.576 1.00 0.00 O ATOM 716 CB ALA A 52 -2.760 -3.682 5.520 1.00 0.00 C ATOM 0 H ALA A 52 -2.851 -5.985 7.144 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.656 -5.401 4.253 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.184 -3.048 4.846 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.824 -3.536 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.532 -3.416 6.552 1.00 0.00 H new ATOM 722 N ARG A 53 -0.201 -5.578 4.349 1.00 0.00 N ATOM 723 CA ARG A 53 1.240 -5.797 4.384 1.00 0.00 C ATOM 724 C ARG A 53 1.947 -4.934 3.344 1.00 0.00 C ATOM 725 O ARG A 53 1.350 -4.534 2.344 1.00 0.00 O ATOM 726 CB ARG A 53 1.558 -7.273 4.140 1.00 0.00 C ATOM 727 CG ARG A 53 0.841 -8.217 5.091 1.00 0.00 C ATOM 728 CD ARG A 53 1.258 -7.978 6.534 1.00 0.00 C ATOM 729 NE ARG A 53 0.409 -8.701 7.476 1.00 0.00 N ATOM 730 CZ ARG A 53 0.528 -10.001 7.724 1.00 0.00 C ATOM 731 NH1 ARG A 53 1.456 -10.715 7.103 1.00 0.00 N ATOM 732 NH2 ARG A 53 -0.282 -10.588 8.596 1.00 0.00 N ATOM 0 H ARG A 53 -0.611 -5.614 3.416 1.00 0.00 H new ATOM 0 HA ARG A 53 1.602 -5.513 5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.288 -7.529 3.115 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.633 -7.424 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.236 -8.082 4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.059 -9.249 4.814 1.00 0.00 H new ATOM 0 HD2 ARG A 53 2.294 -8.288 6.668 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.214 -6.911 6.752 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.315 -8.180 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.081 -10.267 6.433 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.545 -11.713 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.997 -10.041 9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.190 -11.586 8.786 1.00 0.00 H new ATOM 746 N PHE A 54 3.223 -4.651 3.585 1.00 0.00 N ATOM 747 CA PHE A 54 4.011 -3.834 2.670 1.00 0.00 C ATOM 748 C PHE A 54 5.498 -4.152 2.801 1.00 0.00 C ATOM 749 O PHE A 54 5.989 -4.442 3.892 1.00 0.00 O ATOM 750 CB PHE A 54 3.770 -2.348 2.942 1.00 0.00 C ATOM 751 CG PHE A 54 4.659 -1.782 4.013 1.00 0.00 C ATOM 752 CD1 PHE A 54 4.412 -2.050 5.350 1.00 0.00 C ATOM 753 CD2 PHE A 54 5.741 -0.983 3.682 1.00 0.00 C ATOM 754 CE1 PHE A 54 5.228 -1.532 6.337 1.00 0.00 C ATOM 755 CE2 PHE A 54 6.561 -0.462 4.665 1.00 0.00 C ATOM 756 CZ PHE A 54 6.303 -0.736 5.995 1.00 0.00 C ATOM 0 H PHE A 54 3.733 -4.976 4.406 1.00 0.00 H new ATOM 0 HA PHE A 54 3.696 -4.065 1.653 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.925 -1.788 2.020 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.729 -2.204 3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.572 -2.671 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.946 -0.765 2.644 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.025 -1.750 7.375 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.402 0.159 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.941 -0.328 6.765 1.00 0.00 H new ATOM 766 N LYS A 55 6.209 -4.095 1.680 1.00 0.00 N ATOM 767 CA LYS A 55 7.640 -4.376 1.667 1.00 0.00 C ATOM 768 C LYS A 55 8.384 -3.371 0.793 1.00 0.00 C ATOM 769 O LYS A 55 8.307 -3.423 -0.435 1.00 0.00 O ATOM 770 CB LYS A 55 7.898 -5.797 1.160 1.00 0.00 C ATOM 771 CG LYS A 55 8.084 -6.814 2.272 1.00 0.00 C ATOM 772 CD LYS A 55 9.210 -6.415 3.211 1.00 0.00 C ATOM 773 CE LYS A 55 9.747 -7.613 3.978 1.00 0.00 C ATOM 774 NZ LYS A 55 8.754 -8.134 4.958 1.00 0.00 N ATOM 0 H LYS A 55 5.818 -3.857 0.769 1.00 0.00 H new ATOM 0 HA LYS A 55 8.011 -4.288 2.688 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.063 -6.107 0.531 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.787 -5.793 0.530 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.156 -6.911 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.299 -7.791 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.017 -5.956 2.639 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.850 -5.663 3.914 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.014 -8.403 3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.660 -7.330 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.177 -8.146 5.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.914 -7.521 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.476 -9.100 4.691 1.00 0.00 H new ATOM 788 N THR A 56 9.105 -2.455 1.433 1.00 0.00 N ATOM 789 CA THR A 56 9.862 -1.439 0.714 1.00 0.00 C ATOM 790 C THR A 56 11.351 -1.766 0.706 1.00 0.00 C ATOM 791 O THR A 56 11.909 -2.189 1.718 1.00 0.00 O ATOM 792 CB THR A 56 9.658 -0.043 1.333 1.00 0.00 C ATOM 793 OG1 THR A 56 8.261 0.263 1.402 1.00 0.00 O ATOM 794 CG2 THR A 56 10.376 1.021 0.518 1.00 0.00 C ATOM 0 H THR A 56 9.180 -2.397 2.449 1.00 0.00 H new ATOM 0 HA THR A 56 9.488 -1.432 -0.310 1.00 0.00 H new ATOM 0 HB THR A 56 10.078 -0.051 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.068 0.723 2.246 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.217 1.998 0.975 1.00 0.00 H new ATOM 0 HG22 THR A 56 11.443 0.801 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.983 1.028 -0.499 1.00 0.00 H new ATOM 802 N PHE A 57 11.989 -1.566 -0.442 1.00 0.00 N ATOM 803 CA PHE A 57 13.415 -1.840 -0.582 1.00 0.00 C ATOM 804 C PHE A 57 14.099 -0.755 -1.409 1.00 0.00 C ATOM 805 O PHE A 57 13.921 -0.680 -2.624 1.00 0.00 O ATOM 806 CB PHE A 57 13.631 -3.207 -1.235 1.00 0.00 C ATOM 807 CG PHE A 57 12.862 -4.315 -0.575 1.00 0.00 C ATOM 808 CD1 PHE A 57 13.337 -4.913 0.581 1.00 0.00 C ATOM 809 CD2 PHE A 57 11.664 -4.759 -1.111 1.00 0.00 C ATOM 810 CE1 PHE A 57 12.631 -5.933 1.191 1.00 0.00 C ATOM 811 CE2 PHE A 57 10.954 -5.778 -0.505 1.00 0.00 C ATOM 812 CZ PHE A 57 11.438 -6.366 0.647 1.00 0.00 C ATOM 0 H PHE A 57 11.542 -1.215 -1.289 1.00 0.00 H new ATOM 0 HA PHE A 57 13.858 -1.846 0.414 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.341 -3.149 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 57 14.694 -3.448 -1.211 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.270 -4.578 1.011 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.281 -4.304 -2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 57 13.012 -6.391 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.021 -6.114 -0.932 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.885 -7.163 1.121 1.00 0.00 H new ATOM 822 N GLY A 58 14.882 0.086 -0.739 1.00 0.00 N ATOM 823 CA GLY A 58 15.580 1.156 -1.427 1.00 0.00 C ATOM 824 C GLY A 58 15.901 2.321 -0.511 1.00 0.00 C ATOM 825 O GLY A 58 16.829 2.249 0.295 1.00 0.00 O ATOM 0 H GLY A 58 15.045 0.045 0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.505 0.767 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.969 1.509 -2.258 1.00 0.00 H new ATOM 829 N CYS A 59 15.134 3.399 -0.636 1.00 0.00 N ATOM 830 CA CYS A 59 15.342 4.585 0.185 1.00 0.00 C ATOM 831 C CYS A 59 14.298 4.670 1.294 1.00 0.00 C ATOM 832 O CYS A 59 13.145 4.282 1.106 1.00 0.00 O ATOM 833 CB CYS A 59 15.287 5.846 -0.680 1.00 0.00 C ATOM 834 SG CYS A 59 13.598 6.421 -1.048 1.00 0.00 S ATOM 0 H CYS A 59 14.362 3.475 -1.299 1.00 0.00 H new ATOM 0 HA CYS A 59 16.328 4.510 0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 59 15.829 6.645 -0.174 1.00 0.00 H new ATOM 0 HB3 CYS A 59 15.806 5.653 -1.619 1.00 0.00 H new ATOM 839 N GLY A 60 14.710 5.180 2.451 1.00 0.00 N ATOM 840 CA GLY A 60 13.798 5.306 3.573 1.00 0.00 C ATOM 841 C GLY A 60 12.485 5.953 3.182 1.00 0.00 C ATOM 842 O GLY A 60 11.414 5.396 3.424 1.00 0.00 O ATOM 0 H GLY A 60 15.659 5.508 2.631 1.00 0.00 H new ATOM 0 HA2 GLY A 60 13.603 4.319 3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.271 5.897 4.357 1.00 0.00 H new ATOM 846 N SER A 61 12.565 7.135 2.579 1.00 0.00 N ATOM 847 CA SER A 61 11.373 7.862 2.159 1.00 0.00 C ATOM 848 C SER A 61 10.296 6.900 1.667 1.00 0.00 C ATOM 849 O SER A 61 9.108 7.098 1.922 1.00 0.00 O ATOM 850 CB SER A 61 11.722 8.863 1.056 1.00 0.00 C ATOM 851 OG SER A 61 12.808 9.688 1.440 1.00 0.00 O ATOM 0 H SER A 61 13.443 7.610 2.370 1.00 0.00 H new ATOM 0 HA SER A 61 10.985 8.404 3.021 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.974 8.327 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.852 9.481 0.834 1.00 0.00 H new ATOM 0 HG SER A 61 13.548 9.570 0.808 1.00 0.00 H new ATOM 857 N ALA A 62 10.720 5.858 0.959 1.00 0.00 N ATOM 858 CA ALA A 62 9.793 4.865 0.432 1.00 0.00 C ATOM 859 C ALA A 62 9.245 3.980 1.547 1.00 0.00 C ATOM 860 O ALA A 62 8.051 3.681 1.585 1.00 0.00 O ATOM 861 CB ALA A 62 10.476 4.017 -0.630 1.00 0.00 C ATOM 0 H ALA A 62 11.700 5.680 0.737 1.00 0.00 H new ATOM 0 HA ALA A 62 8.955 5.392 -0.024 1.00 0.00 H new ATOM 0 HB1 ALA A 62 9.772 3.279 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 62 10.813 4.657 -1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 62 11.333 3.506 -0.192 1.00 0.00 H new ATOM 867 N ILE A 63 10.125 3.563 2.452 1.00 0.00 N ATOM 868 CA ILE A 63 9.728 2.712 3.567 1.00 0.00 C ATOM 869 C ILE A 63 8.695 3.406 4.447 1.00 0.00 C ATOM 870 O ILE A 63 7.709 2.798 4.862 1.00 0.00 O ATOM 871 CB ILE A 63 10.940 2.317 4.431 1.00 0.00 C ATOM 872 CG1 ILE A 63 11.985 1.591 3.582 1.00 0.00 C ATOM 873 CG2 ILE A 63 10.497 1.444 5.596 1.00 0.00 C ATOM 874 CD1 ILE A 63 13.344 1.504 4.240 1.00 0.00 C ATOM 0 H ILE A 63 11.117 3.801 2.435 1.00 0.00 H new ATOM 0 HA ILE A 63 9.289 1.812 3.137 1.00 0.00 H new ATOM 0 HB ILE A 63 11.392 3.224 4.832 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.630 0.583 3.366 1.00 0.00 H new ATOM 0 HG13 ILE A 63 12.085 2.105 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.364 1.173 6.198 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.785 1.993 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.024 0.540 5.214 1.00 0.00 H new ATOM 0 HD11 ILE A 63 14.034 0.977 3.581 1.00 0.00 H new ATOM 0 HD12 ILE A 63 13.721 2.509 4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 63 13.258 0.964 5.183 1.00 0.00 H new ATOM 886 N ALA A 64 8.927 4.685 4.728 1.00 0.00 N ATOM 887 CA ALA A 64 8.014 5.463 5.555 1.00 0.00 C ATOM 888 C ALA A 64 6.646 5.591 4.894 1.00 0.00 C ATOM 889 O ALA A 64 5.666 5.005 5.354 1.00 0.00 O ATOM 890 CB ALA A 64 8.598 6.840 5.834 1.00 0.00 C ATOM 0 H ALA A 64 9.740 5.203 4.395 1.00 0.00 H new ATOM 0 HA ALA A 64 7.883 4.937 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.905 7.410 6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.548 6.733 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.759 7.364 4.892 1.00 0.00 H new ATOM 896 N SER A 65 6.587 6.360 3.811 1.00 0.00 N ATOM 897 CA SER A 65 5.337 6.568 3.089 1.00 0.00 C ATOM 898 C SER A 65 4.504 5.290 3.065 1.00 0.00 C ATOM 899 O SER A 65 3.311 5.308 3.368 1.00 0.00 O ATOM 900 CB SER A 65 5.621 7.032 1.659 1.00 0.00 C ATOM 901 OG SER A 65 6.043 8.384 1.636 1.00 0.00 O ATOM 0 H SER A 65 7.390 6.849 3.415 1.00 0.00 H new ATOM 0 HA SER A 65 4.770 7.341 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.390 6.400 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.723 6.918 1.051 1.00 0.00 H new ATOM 0 HG SER A 65 6.220 8.656 0.711 1.00 0.00 H new ATOM 907 N SER A 66 5.143 4.182 2.703 1.00 0.00 N ATOM 908 CA SER A 66 4.461 2.894 2.635 1.00 0.00 C ATOM 909 C SER A 66 3.911 2.499 4.002 1.00 0.00 C ATOM 910 O SER A 66 2.697 2.440 4.202 1.00 0.00 O ATOM 911 CB SER A 66 5.417 1.814 2.126 1.00 0.00 C ATOM 912 OG SER A 66 6.553 1.700 2.965 1.00 0.00 O ATOM 0 H SER A 66 6.131 4.150 2.452 1.00 0.00 H new ATOM 0 HA SER A 66 3.627 2.988 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.898 0.857 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.734 2.054 1.111 1.00 0.00 H new ATOM 0 HG SER A 66 6.428 0.952 3.585 1.00 0.00 H new ATOM 918 N SER A 67 4.812 2.228 4.941 1.00 0.00 N ATOM 919 CA SER A 67 4.418 1.834 6.288 1.00 0.00 C ATOM 920 C SER A 67 3.205 2.633 6.755 1.00 0.00 C ATOM 921 O SER A 67 2.264 2.079 7.324 1.00 0.00 O ATOM 922 CB SER A 67 5.581 2.035 7.262 1.00 0.00 C ATOM 923 OG SER A 67 5.456 1.185 8.389 1.00 0.00 O ATOM 0 H SER A 67 5.820 2.274 4.793 1.00 0.00 H new ATOM 0 HA SER A 67 4.149 0.778 6.267 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.524 1.834 6.754 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.610 3.075 7.588 1.00 0.00 H new ATOM 0 HG SER A 67 5.532 0.250 8.104 1.00 0.00 H new ATOM 929 N LEU A 68 3.235 3.938 6.510 1.00 0.00 N ATOM 930 CA LEU A 68 2.138 4.815 6.905 1.00 0.00 C ATOM 931 C LEU A 68 0.899 4.555 6.054 1.00 0.00 C ATOM 932 O LEU A 68 -0.229 4.651 6.537 1.00 0.00 O ATOM 933 CB LEU A 68 2.560 6.280 6.777 1.00 0.00 C ATOM 934 CG LEU A 68 1.426 7.306 6.765 1.00 0.00 C ATOM 935 CD1 LEU A 68 1.917 8.650 7.280 1.00 0.00 C ATOM 936 CD2 LEU A 68 0.850 7.448 5.363 1.00 0.00 C ATOM 0 H LEU A 68 4.006 4.412 6.040 1.00 0.00 H new ATOM 0 HA LEU A 68 1.892 4.603 7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.230 6.518 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.135 6.393 5.858 1.00 0.00 H new ATOM 0 HG LEU A 68 0.635 6.953 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.097 9.367 7.264 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.281 8.537 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.726 9.010 6.644 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.044 8.182 5.373 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.633 7.778 4.680 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.460 6.486 5.031 1.00 0.00 H new ATOM 948 N ALA A 69 1.118 4.223 4.786 1.00 0.00 N ATOM 949 CA ALA A 69 0.019 3.944 3.869 1.00 0.00 C ATOM 950 C ALA A 69 -0.637 2.605 4.189 1.00 0.00 C ATOM 951 O ALA A 69 -1.802 2.552 4.586 1.00 0.00 O ATOM 952 CB ALA A 69 0.515 3.960 2.431 1.00 0.00 C ATOM 0 H ALA A 69 2.046 4.141 4.370 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.731 4.725 3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.316 3.750 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.931 4.941 2.200 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.286 3.200 2.304 1.00 0.00 H new ATOM 958 N THR A 70 0.117 1.525 4.014 1.00 0.00 N ATOM 959 CA THR A 70 -0.392 0.186 4.283 1.00 0.00 C ATOM 960 C THR A 70 -1.107 0.129 5.628 1.00 0.00 C ATOM 961 O THR A 70 -1.917 -0.764 5.873 1.00 0.00 O ATOM 962 CB THR A 70 0.741 -0.858 4.272 1.00 0.00 C ATOM 963 OG1 THR A 70 0.197 -2.169 4.078 1.00 0.00 O ATOM 964 CG2 THR A 70 1.528 -0.817 5.573 1.00 0.00 C ATOM 0 H THR A 70 1.083 1.551 3.687 1.00 0.00 H new ATOM 0 HA THR A 70 -1.100 -0.048 3.488 1.00 0.00 H new ATOM 0 HB THR A 70 1.417 -0.620 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.768 -2.829 4.523 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.322 -1.563 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.965 0.173 5.703 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.862 -1.032 6.408 1.00 0.00 H new ATOM 972 N GLU A 71 -0.801 1.088 6.497 1.00 0.00 N ATOM 973 CA GLU A 71 -1.415 1.145 7.818 1.00 0.00 C ATOM 974 C GLU A 71 -2.785 1.814 7.752 1.00 0.00 C ATOM 975 O GLU A 71 -3.707 1.437 8.476 1.00 0.00 O ATOM 976 CB GLU A 71 -0.512 1.903 8.793 1.00 0.00 C ATOM 977 CG GLU A 71 -1.204 2.290 10.089 1.00 0.00 C ATOM 978 CD GLU A 71 -0.232 2.459 11.241 1.00 0.00 C ATOM 979 OE1 GLU A 71 0.778 3.172 11.066 1.00 0.00 O ATOM 980 OE2 GLU A 71 -0.483 1.878 12.318 1.00 0.00 O ATOM 0 H GLU A 71 -0.132 1.835 6.310 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.545 0.123 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.356 1.286 9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.142 2.805 8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -1.751 3.221 9.941 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.938 1.527 10.347 1.00 0.00 H new ATOM 987 N TRP A 72 -2.910 2.808 6.881 1.00 0.00 N ATOM 988 CA TRP A 72 -4.167 3.531 6.720 1.00 0.00 C ATOM 989 C TRP A 72 -5.246 2.624 6.139 1.00 0.00 C ATOM 990 O TRP A 72 -6.411 2.702 6.527 1.00 0.00 O ATOM 991 CB TRP A 72 -3.967 4.749 5.818 1.00 0.00 C ATOM 992 CG TRP A 72 -3.349 5.918 6.526 1.00 0.00 C ATOM 993 CD1 TRP A 72 -2.900 5.951 7.815 1.00 0.00 C ATOM 994 CD2 TRP A 72 -3.115 7.222 5.983 1.00 0.00 C ATOM 995 NE1 TRP A 72 -2.401 7.197 8.107 1.00 0.00 N ATOM 996 CE2 TRP A 72 -2.520 7.995 7.000 1.00 0.00 C ATOM 997 CE3 TRP A 72 -3.347 7.811 4.738 1.00 0.00 C ATOM 998 CZ2 TRP A 72 -2.157 9.325 6.807 1.00 0.00 C ATOM 999 CZ3 TRP A 72 -2.987 9.132 4.548 1.00 0.00 C ATOM 1000 CH2 TRP A 72 -2.396 9.877 5.578 1.00 0.00 C ATOM 0 H TRP A 72 -2.156 3.132 6.275 1.00 0.00 H new ATOM 0 HA TRP A 72 -4.493 3.867 7.704 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.335 4.468 4.975 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.931 5.050 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -2.932 5.120 8.504 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.006 7.482 9.003 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -3.800 7.244 3.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -1.703 9.901 7.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.164 9.598 3.590 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.124 10.907 5.398 1.00 0.00 H new ATOM 1011 N VAL A 73 -4.850 1.764 5.206 1.00 0.00 N ATOM 1012 CA VAL A 73 -5.784 0.840 4.572 1.00 0.00 C ATOM 1013 C VAL A 73 -6.386 -0.119 5.592 1.00 0.00 C ATOM 1014 O VAL A 73 -7.518 -0.578 5.436 1.00 0.00 O ATOM 1015 CB VAL A 73 -5.098 0.025 3.459 1.00 0.00 C ATOM 1016 CG1 VAL A 73 -4.513 0.950 2.403 1.00 0.00 C ATOM 1017 CG2 VAL A 73 -4.023 -0.877 4.045 1.00 0.00 C ATOM 0 H VAL A 73 -3.889 1.688 4.872 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.578 1.444 4.133 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.847 -0.606 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.033 0.356 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.310 1.549 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -3.777 1.608 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.549 -1.445 3.245 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.274 -0.268 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.475 -1.565 4.760 1.00 0.00 H new ATOM 1027 N LYS A 74 -5.623 -0.418 6.638 1.00 0.00 N ATOM 1028 CA LYS A 74 -6.080 -1.322 7.686 1.00 0.00 C ATOM 1029 C LYS A 74 -7.348 -0.790 8.348 1.00 0.00 C ATOM 1030 O LYS A 74 -7.421 0.380 8.720 1.00 0.00 O ATOM 1031 CB LYS A 74 -4.985 -1.512 8.738 1.00 0.00 C ATOM 1032 CG LYS A 74 -3.701 -2.102 8.179 1.00 0.00 C ATOM 1033 CD LYS A 74 -2.637 -2.241 9.255 1.00 0.00 C ATOM 1034 CE LYS A 74 -1.294 -2.640 8.662 1.00 0.00 C ATOM 1035 NZ LYS A 74 -0.157 -2.175 9.503 1.00 0.00 N ATOM 0 H LYS A 74 -4.684 -0.047 6.782 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.306 -2.285 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.763 -0.549 9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.360 -2.163 9.528 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.908 -3.079 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.327 -1.467 7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.534 -1.297 9.790 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.951 -2.988 9.984 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.250 -3.724 8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.200 -2.221 7.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.740 -2.466 9.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.184 -1.138 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.232 -2.595 10.451 1.00 0.00 H new ATOM 1049 N GLY A 75 -8.344 -1.659 8.492 1.00 0.00 N ATOM 1050 CA GLY A 75 -9.594 -1.258 9.110 1.00 0.00 C ATOM 1051 C GLY A 75 -10.537 -0.589 8.129 1.00 0.00 C ATOM 1052 O GLY A 75 -11.756 -0.636 8.297 1.00 0.00 O ATOM 0 H GLY A 75 -8.307 -2.633 8.192 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.081 -2.134 9.538 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.386 -0.574 9.933 1.00 0.00 H new ATOM 1056 N LYS A 76 -9.973 0.039 7.103 1.00 0.00 N ATOM 1057 CA LYS A 76 -10.771 0.722 6.091 1.00 0.00 C ATOM 1058 C LYS A 76 -11.166 -0.237 4.972 1.00 0.00 C ATOM 1059 O LYS A 76 -10.653 -1.353 4.886 1.00 0.00 O ATOM 1060 CB LYS A 76 -9.993 1.906 5.512 1.00 0.00 C ATOM 1061 CG LYS A 76 -9.579 2.929 6.556 1.00 0.00 C ATOM 1062 CD LYS A 76 -9.152 4.238 5.913 1.00 0.00 C ATOM 1063 CE LYS A 76 -8.272 5.056 6.846 1.00 0.00 C ATOM 1064 NZ LYS A 76 -8.425 6.519 6.612 1.00 0.00 N ATOM 0 H LYS A 76 -8.966 0.089 6.950 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.679 1.091 6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.102 1.533 5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.605 2.398 4.756 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.409 3.111 7.238 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.758 2.530 7.152 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.612 4.032 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.035 4.817 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.526 4.825 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.229 4.772 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.809 7.042 7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.158 6.744 5.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.415 6.795 6.773 1.00 0.00 H new ATOM 1078 N THR A 77 -12.080 0.207 4.114 1.00 0.00 N ATOM 1079 CA THR A 77 -12.543 -0.611 3.000 1.00 0.00 C ATOM 1080 C THR A 77 -11.816 -0.246 1.711 1.00 0.00 C ATOM 1081 O THR A 77 -11.233 0.833 1.599 1.00 0.00 O ATOM 1082 CB THR A 77 -14.060 -0.456 2.782 1.00 0.00 C ATOM 1083 OG1 THR A 77 -14.372 0.902 2.452 1.00 0.00 O ATOM 1084 CG2 THR A 77 -14.830 -0.871 4.027 1.00 0.00 C ATOM 0 H THR A 77 -12.514 1.128 4.170 1.00 0.00 H new ATOM 0 HA THR A 77 -12.324 -1.648 3.256 1.00 0.00 H new ATOM 0 HB THR A 77 -14.355 -1.106 1.958 1.00 0.00 H new ATOM 0 HG1 THR A 77 -15.338 0.991 2.313 1.00 0.00 H new ATOM 0 HG21 THR A 77 -15.899 -0.753 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 77 -14.613 -1.914 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 77 -14.530 -0.244 4.866 1.00 0.00 H new ATOM 1092 N VAL A 78 -11.855 -1.151 0.738 1.00 0.00 N ATOM 1093 CA VAL A 78 -11.202 -0.923 -0.545 1.00 0.00 C ATOM 1094 C VAL A 78 -11.612 0.420 -1.140 1.00 0.00 C ATOM 1095 O VAL A 78 -10.822 1.076 -1.818 1.00 0.00 O ATOM 1096 CB VAL A 78 -11.535 -2.041 -1.551 1.00 0.00 C ATOM 1097 CG1 VAL A 78 -11.027 -3.383 -1.046 1.00 0.00 C ATOM 1098 CG2 VAL A 78 -13.032 -2.093 -1.813 1.00 0.00 C ATOM 0 H VAL A 78 -12.332 -2.049 0.814 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.128 -0.921 -0.357 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.032 -1.820 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.271 -4.160 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.946 -3.337 -0.914 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.499 -3.615 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.249 -2.888 -2.526 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.558 -2.289 -0.879 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.363 -1.139 -2.222 1.00 0.00 H new ATOM 1108 N GLU A 79 -12.852 0.821 -0.881 1.00 0.00 N ATOM 1109 CA GLU A 79 -13.367 2.086 -1.392 1.00 0.00 C ATOM 1110 C GLU A 79 -12.653 3.267 -0.741 1.00 0.00 C ATOM 1111 O GLU A 79 -12.317 4.245 -1.407 1.00 0.00 O ATOM 1112 CB GLU A 79 -14.874 2.187 -1.142 1.00 0.00 C ATOM 1113 CG GLU A 79 -15.665 1.025 -1.718 1.00 0.00 C ATOM 1114 CD GLU A 79 -17.102 1.001 -1.235 1.00 0.00 C ATOM 1115 OE1 GLU A 79 -17.713 2.085 -1.134 1.00 0.00 O ATOM 1116 OE2 GLU A 79 -17.616 -0.103 -0.957 1.00 0.00 O ATOM 0 H GLU A 79 -13.518 0.289 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 79 -13.181 2.117 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.053 2.241 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -15.244 3.117 -1.574 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -15.652 1.086 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -15.178 0.089 -1.445 1.00 0.00 H new ATOM 1123 N GLU A 80 -12.426 3.167 0.565 1.00 0.00 N ATOM 1124 CA GLU A 80 -11.753 4.227 1.306 1.00 0.00 C ATOM 1125 C GLU A 80 -10.317 4.405 0.819 1.00 0.00 C ATOM 1126 O GLU A 80 -9.818 5.526 0.722 1.00 0.00 O ATOM 1127 CB GLU A 80 -11.759 3.916 2.805 1.00 0.00 C ATOM 1128 CG GLU A 80 -13.152 3.717 3.379 1.00 0.00 C ATOM 1129 CD GLU A 80 -13.946 5.007 3.441 1.00 0.00 C ATOM 1130 OE1 GLU A 80 -13.609 5.873 4.276 1.00 0.00 O ATOM 1131 OE2 GLU A 80 -14.906 5.151 2.655 1.00 0.00 O ATOM 0 H GLU A 80 -12.698 2.363 1.131 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.296 5.156 1.132 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.170 3.017 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.268 4.730 3.338 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.692 2.991 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.071 3.296 4.381 1.00 0.00 H new ATOM 1138 N ALA A 81 -9.660 3.291 0.514 1.00 0.00 N ATOM 1139 CA ALA A 81 -8.283 3.323 0.036 1.00 0.00 C ATOM 1140 C ALA A 81 -8.183 4.057 -1.297 1.00 0.00 C ATOM 1141 O ALA A 81 -7.354 4.953 -1.463 1.00 0.00 O ATOM 1142 CB ALA A 81 -7.737 1.909 -0.095 1.00 0.00 C ATOM 0 H ALA A 81 -10.059 2.355 0.589 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.683 3.866 0.766 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.708 1.948 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.765 1.417 0.877 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.346 1.348 -0.803 1.00 0.00 H new ATOM 1148 N LEU A 82 -9.029 3.671 -2.245 1.00 0.00 N ATOM 1149 CA LEU A 82 -9.035 4.292 -3.565 1.00 0.00 C ATOM 1150 C LEU A 82 -9.047 5.813 -3.451 1.00 0.00 C ATOM 1151 O LEU A 82 -8.550 6.516 -4.332 1.00 0.00 O ATOM 1152 CB LEU A 82 -10.249 3.820 -4.367 1.00 0.00 C ATOM 1153 CG LEU A 82 -10.008 2.655 -5.328 1.00 0.00 C ATOM 1154 CD1 LEU A 82 -8.920 3.008 -6.330 1.00 0.00 C ATOM 1155 CD2 LEU A 82 -9.639 1.396 -4.558 1.00 0.00 C ATOM 0 H LEU A 82 -9.720 2.931 -2.124 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.125 3.992 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.032 3.530 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.631 4.665 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.930 2.463 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.761 2.168 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.224 3.883 -6.904 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.993 3.226 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.471 0.577 -5.258 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -8.730 1.574 -3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.451 1.133 -3.880 1.00 0.00 H new ATOM 1167 N THR A 83 -9.615 6.315 -2.359 1.00 0.00 N ATOM 1168 CA THR A 83 -9.690 7.753 -2.129 1.00 0.00 C ATOM 1169 C THR A 83 -8.362 8.297 -1.617 1.00 0.00 C ATOM 1170 O THR A 83 -7.995 9.437 -1.905 1.00 0.00 O ATOM 1171 CB THR A 83 -10.800 8.103 -1.120 1.00 0.00 C ATOM 1172 OG1 THR A 83 -10.342 7.860 0.215 1.00 0.00 O ATOM 1173 CG2 THR A 83 -12.053 7.283 -1.388 1.00 0.00 C ATOM 0 H THR A 83 -10.030 5.747 -1.620 1.00 0.00 H new ATOM 0 HA THR A 83 -9.923 8.216 -3.088 1.00 0.00 H new ATOM 0 HB THR A 83 -11.045 9.159 -1.234 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.519 6.927 0.457 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.823 7.547 -0.663 1.00 0.00 H new ATOM 0 HG22 THR A 83 -12.416 7.491 -2.395 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.820 6.222 -1.299 1.00 0.00 H new ATOM 1181 N ILE A 84 -7.645 7.477 -0.856 1.00 0.00 N ATOM 1182 CA ILE A 84 -6.357 7.877 -0.305 1.00 0.00 C ATOM 1183 C ILE A 84 -5.436 8.417 -1.395 1.00 0.00 C ATOM 1184 O ILE A 84 -5.042 7.689 -2.306 1.00 0.00 O ATOM 1185 CB ILE A 84 -5.659 6.702 0.406 1.00 0.00 C ATOM 1186 CG1 ILE A 84 -6.518 6.197 1.567 1.00 0.00 C ATOM 1187 CG2 ILE A 84 -4.284 7.124 0.902 1.00 0.00 C ATOM 1188 CD1 ILE A 84 -5.951 4.972 2.250 1.00 0.00 C ATOM 0 H ILE A 84 -7.935 6.531 -0.607 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.556 8.664 0.422 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.532 5.888 -0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.627 6.995 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.517 5.967 1.196 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.804 6.283 1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.673 7.440 0.056 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.388 7.952 1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -6.612 4.670 3.063 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.868 4.159 1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.964 5.203 2.651 1.00 0.00 H new ATOM 1200 N LYS A 85 -5.096 9.697 -1.294 1.00 0.00 N ATOM 1201 CA LYS A 85 -4.219 10.335 -2.268 1.00 0.00 C ATOM 1202 C LYS A 85 -2.781 10.374 -1.762 1.00 0.00 C ATOM 1203 O LYS A 85 -2.511 10.051 -0.607 1.00 0.00 O ATOM 1204 CB LYS A 85 -4.704 11.755 -2.568 1.00 0.00 C ATOM 1205 CG LYS A 85 -6.096 11.807 -3.175 1.00 0.00 C ATOM 1206 CD LYS A 85 -6.785 13.128 -2.877 1.00 0.00 C ATOM 1207 CE LYS A 85 -8.197 13.160 -3.442 1.00 0.00 C ATOM 1208 NZ LYS A 85 -8.879 14.453 -3.158 1.00 0.00 N ATOM 0 H LYS A 85 -5.415 10.314 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.247 9.747 -3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.697 12.335 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.001 12.233 -3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.029 11.666 -4.254 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.696 10.986 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.820 13.287 -1.799 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.204 13.947 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.161 12.997 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.777 12.342 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.838 14.435 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.936 14.597 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -8.339 15.232 -3.587 1.00 0.00 H new ATOM 1222 N ASN A 86 -1.862 10.774 -2.635 1.00 0.00 N ATOM 1223 CA ASN A 86 -0.451 10.856 -2.276 1.00 0.00 C ATOM 1224 C ASN A 86 -0.146 12.172 -1.567 1.00 0.00 C ATOM 1225 O ASN A 86 0.577 12.201 -0.570 1.00 0.00 O ATOM 1226 CB ASN A 86 0.423 10.723 -3.525 1.00 0.00 C ATOM 1227 CG ASN A 86 0.296 11.918 -4.450 1.00 0.00 C ATOM 1228 OD1 ASN A 86 -0.710 12.077 -5.142 1.00 0.00 O ATOM 1229 ND2 ASN A 86 1.319 12.764 -4.466 1.00 0.00 N ATOM 0 H ASN A 86 -2.069 11.046 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 86 -0.227 10.035 -1.594 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.465 10.608 -3.225 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.145 9.818 -4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.291 13.586 -5.069 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.132 12.592 -3.875 1.00 0.00 H new ATOM 1236 N THR A 87 -0.703 13.262 -2.086 1.00 0.00 N ATOM 1237 CA THR A 87 -0.491 14.581 -1.504 1.00 0.00 C ATOM 1238 C THR A 87 -0.490 14.516 0.019 1.00 0.00 C ATOM 1239 O THR A 87 0.449 14.977 0.669 1.00 0.00 O ATOM 1240 CB THR A 87 -1.572 15.578 -1.963 1.00 0.00 C ATOM 1241 OG1 THR A 87 -2.858 15.155 -1.495 1.00 0.00 O ATOM 1242 CG2 THR A 87 -1.591 15.695 -3.479 1.00 0.00 C ATOM 0 H THR A 87 -1.305 13.257 -2.909 1.00 0.00 H new ATOM 0 HA THR A 87 0.483 14.927 -1.851 1.00 0.00 H new ATOM 0 HB THR A 87 -1.336 16.556 -1.543 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.540 15.795 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.362 16.404 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.620 16.045 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.805 14.720 -3.917 1.00 0.00 H new ATOM 1250 N ASP A 88 -1.545 13.939 0.583 1.00 0.00 N ATOM 1251 CA ASP A 88 -1.665 13.812 2.031 1.00 0.00 C ATOM 1252 C ASP A 88 -0.456 13.086 2.614 1.00 0.00 C ATOM 1253 O ASP A 88 0.186 13.577 3.542 1.00 0.00 O ATOM 1254 CB ASP A 88 -2.949 13.064 2.394 1.00 0.00 C ATOM 1255 CG ASP A 88 -3.236 11.913 1.450 1.00 0.00 C ATOM 1256 OD1 ASP A 88 -3.867 12.151 0.398 1.00 0.00 O ATOM 1257 OD2 ASP A 88 -2.829 10.775 1.762 1.00 0.00 O ATOM 0 H ASP A 88 -2.330 13.552 0.059 1.00 0.00 H new ATOM 0 HA ASP A 88 -1.705 14.814 2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.869 12.683 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.788 13.760 2.379 1.00 0.00 H new ATOM 1262 N ILE A 89 -0.154 11.915 2.064 1.00 0.00 N ATOM 1263 CA ILE A 89 0.977 11.122 2.530 1.00 0.00 C ATOM 1264 C ILE A 89 2.250 11.959 2.583 1.00 0.00 C ATOM 1265 O ILE A 89 2.818 12.175 3.653 1.00 0.00 O ATOM 1266 CB ILE A 89 1.218 9.899 1.625 1.00 0.00 C ATOM 1267 CG1 ILE A 89 -0.023 9.004 1.599 1.00 0.00 C ATOM 1268 CG2 ILE A 89 2.432 9.117 2.104 1.00 0.00 C ATOM 1269 CD1 ILE A 89 0.046 7.906 0.561 1.00 0.00 C ATOM 0 H ILE A 89 -0.676 11.494 1.296 1.00 0.00 H new ATOM 0 HA ILE A 89 0.729 10.778 3.534 1.00 0.00 H new ATOM 0 HB ILE A 89 1.412 10.248 0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.158 8.555 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -0.901 9.620 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.589 8.256 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.313 9.759 2.076 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.265 8.775 3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -0.867 7.311 0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.150 8.348 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.905 7.266 0.765 1.00 0.00 H new ATOM 1281 N ALA A 90 2.692 12.430 1.422 1.00 0.00 N ATOM 1282 CA ALA A 90 3.896 13.247 1.337 1.00 0.00 C ATOM 1283 C ALA A 90 3.932 14.288 2.450 1.00 0.00 C ATOM 1284 O ALA A 90 4.977 14.529 3.055 1.00 0.00 O ATOM 1285 CB ALA A 90 3.980 13.922 -0.024 1.00 0.00 C ATOM 0 H ALA A 90 2.234 12.260 0.527 1.00 0.00 H new ATOM 0 HA ALA A 90 4.759 12.593 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.884 14.529 -0.074 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.009 13.163 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.107 14.558 -0.169 1.00 0.00 H new ATOM 1291 N LYS A 91 2.785 14.904 2.715 1.00 0.00 N ATOM 1292 CA LYS A 91 2.685 15.920 3.756 1.00 0.00 C ATOM 1293 C LYS A 91 2.822 15.296 5.141 1.00 0.00 C ATOM 1294 O LYS A 91 3.490 15.846 6.015 1.00 0.00 O ATOM 1295 CB LYS A 91 1.349 16.660 3.648 1.00 0.00 C ATOM 1296 CG LYS A 91 1.229 17.839 4.598 1.00 0.00 C ATOM 1297 CD LYS A 91 -0.222 18.133 4.941 1.00 0.00 C ATOM 1298 CE LYS A 91 -0.392 19.543 5.485 1.00 0.00 C ATOM 1299 NZ LYS A 91 0.152 19.675 6.865 1.00 0.00 N ATOM 0 H LYS A 91 1.911 14.717 2.223 1.00 0.00 H new ATOM 0 HA LYS A 91 3.500 16.630 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.221 17.014 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.538 15.960 3.847 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.785 17.629 5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.683 18.720 4.145 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.840 18.008 4.052 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -0.576 17.412 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.113 20.250 4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.449 19.807 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.017 20.650 7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.347 19.019 7.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.167 19.448 6.861 1.00 0.00 H new ATOM 1313 N GLU A 92 2.186 14.144 5.331 1.00 0.00 N ATOM 1314 CA GLU A 92 2.239 13.446 6.610 1.00 0.00 C ATOM 1315 C GLU A 92 3.681 13.129 6.998 1.00 0.00 C ATOM 1316 O GLU A 92 4.094 13.357 8.136 1.00 0.00 O ATOM 1317 CB GLU A 92 1.422 12.154 6.546 1.00 0.00 C ATOM 1318 CG GLU A 92 0.992 11.637 7.908 1.00 0.00 C ATOM 1319 CD GLU A 92 0.459 12.735 8.808 1.00 0.00 C ATOM 1320 OE1 GLU A 92 1.268 13.361 9.524 1.00 0.00 O ATOM 1321 OE2 GLU A 92 -0.768 12.969 8.794 1.00 0.00 O ATOM 0 H GLU A 92 1.629 13.675 4.617 1.00 0.00 H new ATOM 0 HA GLU A 92 1.812 14.101 7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 92 0.535 12.325 5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.011 11.386 6.045 1.00 0.00 H new ATOM 0 HG2 GLU A 92 0.224 10.875 7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.840 11.154 8.393 1.00 0.00 H new ATOM 1328 N LEU A 93 4.441 12.602 6.045 1.00 0.00 N ATOM 1329 CA LEU A 93 5.837 12.253 6.285 1.00 0.00 C ATOM 1330 C LEU A 93 6.730 13.488 6.202 1.00 0.00 C ATOM 1331 O LEU A 93 7.834 13.505 6.746 1.00 0.00 O ATOM 1332 CB LEU A 93 6.303 11.204 5.274 1.00 0.00 C ATOM 1333 CG LEU A 93 5.641 9.830 5.380 1.00 0.00 C ATOM 1334 CD1 LEU A 93 5.410 9.460 6.837 1.00 0.00 C ATOM 1335 CD2 LEU A 93 4.330 9.808 4.608 1.00 0.00 C ATOM 0 H LEU A 93 4.114 12.407 5.099 1.00 0.00 H new ATOM 0 HA LEU A 93 5.914 11.839 7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.129 11.593 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 93 7.380 11.076 5.384 1.00 0.00 H new ATOM 0 HG LEU A 93 6.310 9.091 4.940 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.938 8.479 6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 93 6.365 9.434 7.362 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.761 10.202 7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.873 8.822 4.695 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.654 10.559 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.522 10.027 3.558 1.00 0.00 H new ATOM 1347 N CYS A 94 6.242 14.518 5.520 1.00 0.00 N ATOM 1348 CA CYS A 94 6.995 15.758 5.366 1.00 0.00 C ATOM 1349 C CYS A 94 8.277 15.521 4.574 1.00 0.00 C ATOM 1350 O CYS A 94 9.354 15.971 4.968 1.00 0.00 O ATOM 1351 CB CYS A 94 7.329 16.349 6.736 1.00 0.00 C ATOM 1352 SG CYS A 94 7.691 18.121 6.708 1.00 0.00 S ATOM 0 H CYS A 94 5.329 14.519 5.065 1.00 0.00 H new ATOM 0 HA CYS A 94 6.375 16.465 4.815 1.00 0.00 H new ATOM 0 HB2 CYS A 94 6.491 16.171 7.410 1.00 0.00 H new ATOM 0 HB3 CYS A 94 8.188 15.820 7.148 1.00 0.00 H new ATOM 0 HG CYS A 94 7.959 18.528 7.913 1.00 0.00 H new ATOM 1358 N LEU A 95 8.154 14.812 3.458 1.00 0.00 N ATOM 1359 CA LEU A 95 9.303 14.514 2.611 1.00 0.00 C ATOM 1360 C LEU A 95 9.573 15.655 1.636 1.00 0.00 C ATOM 1361 O LEU A 95 8.673 16.405 1.256 1.00 0.00 O ATOM 1362 CB LEU A 95 9.069 13.214 1.839 1.00 0.00 C ATOM 1363 CG LEU A 95 7.863 13.199 0.900 1.00 0.00 C ATOM 1364 CD1 LEU A 95 8.266 13.655 -0.494 1.00 0.00 C ATOM 1365 CD2 LEU A 95 7.243 11.810 0.850 1.00 0.00 C ATOM 0 H LEU A 95 7.270 14.433 3.118 1.00 0.00 H new ATOM 0 HA LEU A 95 10.175 14.397 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.963 12.997 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.954 12.403 2.558 1.00 0.00 H new ATOM 0 HG LEU A 95 7.118 13.894 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.395 13.638 -1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.663 14.669 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.030 12.985 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.386 11.818 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.982 11.095 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.917 11.521 1.849 1.00 0.00 H new ATOM 1377 N PRO A 96 10.840 15.791 1.219 1.00 0.00 N ATOM 1378 CA PRO A 96 11.257 16.838 0.281 1.00 0.00 C ATOM 1379 C PRO A 96 10.716 16.604 -1.126 1.00 0.00 C ATOM 1380 O PRO A 96 10.165 15.548 -1.438 1.00 0.00 O ATOM 1381 CB PRO A 96 12.784 16.735 0.290 1.00 0.00 C ATOM 1382 CG PRO A 96 13.066 15.327 0.686 1.00 0.00 C ATOM 1383 CD PRO A 96 11.964 14.934 1.630 1.00 0.00 C ATOM 0 HA PRO A 96 10.881 17.819 0.571 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.202 16.962 -0.691 1.00 0.00 H new ATOM 0 HB3 PRO A 96 13.224 17.440 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.085 14.673 -0.186 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.040 15.245 1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 96 11.716 13.876 1.540 1.00 0.00 H new ATOM 0 HD3 PRO A 96 12.244 15.109 2.669 1.00 0.00 H new ATOM 1391 N PRO A 97 10.874 17.612 -1.997 1.00 0.00 N ATOM 1392 CA PRO A 97 10.409 17.539 -3.385 1.00 0.00 C ATOM 1393 C PRO A 97 11.226 16.559 -4.220 1.00 0.00 C ATOM 1394 O PRO A 97 10.819 16.170 -5.314 1.00 0.00 O ATOM 1395 CB PRO A 97 10.600 18.969 -3.899 1.00 0.00 C ATOM 1396 CG PRO A 97 11.683 19.535 -3.046 1.00 0.00 C ATOM 1397 CD PRO A 97 11.521 18.900 -1.693 1.00 0.00 C ATOM 0 HA PRO A 97 9.382 17.181 -3.452 1.00 0.00 H new ATOM 0 HB2 PRO A 97 10.880 18.977 -4.952 1.00 0.00 H new ATOM 0 HB3 PRO A 97 9.681 19.548 -3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.665 19.315 -3.465 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.601 20.620 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 97 12.481 18.760 -1.197 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.907 19.512 -1.032 1.00 0.00 H new ATOM 1405 N VAL A 98 12.382 16.163 -3.696 1.00 0.00 N ATOM 1406 CA VAL A 98 13.256 15.227 -4.393 1.00 0.00 C ATOM 1407 C VAL A 98 12.811 13.787 -4.166 1.00 0.00 C ATOM 1408 O VAL A 98 12.985 12.928 -5.030 1.00 0.00 O ATOM 1409 CB VAL A 98 14.719 15.379 -3.935 1.00 0.00 C ATOM 1410 CG1 VAL A 98 14.845 15.098 -2.446 1.00 0.00 C ATOM 1411 CG2 VAL A 98 15.626 14.458 -4.738 1.00 0.00 C ATOM 0 H VAL A 98 12.735 16.476 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 98 13.189 15.462 -5.455 1.00 0.00 H new ATOM 0 HB VAL A 98 15.032 16.408 -4.114 1.00 0.00 H new ATOM 0 HG11 VAL A 98 15.885 15.210 -2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.226 15.801 -1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 98 14.514 14.080 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 98 16.656 14.578 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 98 15.315 13.424 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 98 15.558 14.712 -5.796 1.00 0.00 H new ATOM 1421 N LYS A 99 12.234 13.529 -2.997 1.00 0.00 N ATOM 1422 CA LYS A 99 11.761 12.193 -2.655 1.00 0.00 C ATOM 1423 C LYS A 99 10.261 12.067 -2.900 1.00 0.00 C ATOM 1424 O LYS A 99 9.573 11.297 -2.228 1.00 0.00 O ATOM 1425 CB LYS A 99 12.077 11.876 -1.191 1.00 0.00 C ATOM 1426 CG LYS A 99 13.547 12.030 -0.839 1.00 0.00 C ATOM 1427 CD LYS A 99 14.407 11.027 -1.589 1.00 0.00 C ATOM 1428 CE LYS A 99 15.888 11.347 -1.447 1.00 0.00 C ATOM 1429 NZ LYS A 99 16.731 10.456 -2.290 1.00 0.00 N ATOM 0 H LYS A 99 12.083 14.228 -2.270 1.00 0.00 H new ATOM 0 HA LYS A 99 12.278 11.478 -3.295 1.00 0.00 H new ATOM 0 HB2 LYS A 99 11.488 12.532 -0.550 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.765 10.854 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 99 13.875 13.042 -1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 99 13.681 11.895 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 99 14.212 10.024 -1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.133 11.028 -2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 99 16.064 12.385 -1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.183 11.245 -0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.733 10.706 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.583 9.467 -2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 16.467 10.572 -3.289 1.00 0.00 H new ATOM 1443 N LEU A 100 9.759 12.827 -3.868 1.00 0.00 N ATOM 1444 CA LEU A 100 8.340 12.799 -4.204 1.00 0.00 C ATOM 1445 C LEU A 100 7.944 11.446 -4.785 1.00 0.00 C ATOM 1446 O LEU A 100 6.824 10.974 -4.582 1.00 0.00 O ATOM 1447 CB LEU A 100 8.010 13.912 -5.200 1.00 0.00 C ATOM 1448 CG LEU A 100 7.781 15.301 -4.604 1.00 0.00 C ATOM 1449 CD1 LEU A 100 7.911 16.371 -5.677 1.00 0.00 C ATOM 1450 CD2 LEU A 100 6.415 15.376 -3.936 1.00 0.00 C ATOM 0 H LEU A 100 10.314 13.470 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 100 7.772 12.960 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.824 13.978 -5.922 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.116 13.624 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 100 8.544 15.481 -3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.745 17.353 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.911 16.333 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.171 16.195 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.269 16.372 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.638 15.175 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.359 14.635 -3.138 1.00 0.00 H new ATOM 1462 N HIS A 101 8.870 10.824 -5.508 1.00 0.00 N ATOM 1463 CA HIS A 101 8.619 9.523 -6.117 1.00 0.00 C ATOM 1464 C HIS A 101 8.004 8.560 -5.106 1.00 0.00 C ATOM 1465 O HIS A 101 7.283 7.633 -5.477 1.00 0.00 O ATOM 1466 CB HIS A 101 9.917 8.938 -6.674 1.00 0.00 C ATOM 1467 CG HIS A 101 10.932 8.623 -5.619 1.00 0.00 C ATOM 1468 ND1 HIS A 101 11.466 9.577 -4.778 1.00 0.00 N ATOM 1469 CD2 HIS A 101 11.511 7.450 -5.269 1.00 0.00 C ATOM 1470 CE1 HIS A 101 12.329 9.006 -3.959 1.00 0.00 C ATOM 1471 NE2 HIS A 101 12.375 7.715 -4.235 1.00 0.00 N ATOM 0 H HIS A 101 9.801 11.200 -5.686 1.00 0.00 H new ATOM 0 HA HIS A 101 7.913 9.662 -6.935 1.00 0.00 H new ATOM 0 HB2 HIS A 101 9.687 8.028 -7.229 1.00 0.00 H new ATOM 0 HB3 HIS A 101 10.349 9.644 -7.383 1.00 0.00 H new ATOM 0 HD1 HIS A 101 11.231 10.569 -4.788 1.00 0.00 H new ATOM 0 HD2 HIS A 101 11.327 6.486 -5.719 1.00 0.00 H new ATOM 0 HE1 HIS A 101 12.901 9.509 -3.193 1.00 0.00 H new ATOM 1479 N CYS A 102 8.295 8.785 -3.830 1.00 0.00 N ATOM 1480 CA CYS A 102 7.773 7.935 -2.765 1.00 0.00 C ATOM 1481 C CYS A 102 6.286 8.193 -2.545 1.00 0.00 C ATOM 1482 O CYS A 102 5.459 7.296 -2.708 1.00 0.00 O ATOM 1483 CB CYS A 102 8.543 8.178 -1.467 1.00 0.00 C ATOM 1484 SG CYS A 102 10.148 7.348 -1.394 1.00 0.00 S ATOM 0 H CYS A 102 8.889 9.548 -3.507 1.00 0.00 H new ATOM 0 HA CYS A 102 7.903 6.895 -3.066 1.00 0.00 H new ATOM 0 HB2 CYS A 102 8.695 9.250 -1.342 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.934 7.842 -0.628 1.00 0.00 H new ATOM 0 HG CYS A 102 10.634 7.237 -2.595 1.00 0.00 H new ATOM 1490 N SER A 103 5.953 9.424 -2.171 1.00 0.00 N ATOM 1491 CA SER A 103 4.566 9.799 -1.923 1.00 0.00 C ATOM 1492 C SER A 103 3.633 9.123 -2.923 1.00 0.00 C ATOM 1493 O SER A 103 2.670 8.459 -2.539 1.00 0.00 O ATOM 1494 CB SER A 103 4.403 11.318 -2.004 1.00 0.00 C ATOM 1495 OG SER A 103 4.457 11.766 -3.347 1.00 0.00 O ATOM 0 H SER A 103 6.625 10.179 -2.033 1.00 0.00 H new ATOM 0 HA SER A 103 4.300 9.465 -0.920 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.452 11.609 -1.558 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.188 11.803 -1.424 1.00 0.00 H new ATOM 0 HG SER A 103 5.325 11.531 -3.736 1.00 0.00 H new ATOM 1501 N MET A 104 3.926 9.296 -4.207 1.00 0.00 N ATOM 1502 CA MET A 104 3.115 8.702 -5.263 1.00 0.00 C ATOM 1503 C MET A 104 3.166 7.179 -5.196 1.00 0.00 C ATOM 1504 O MET A 104 2.143 6.507 -5.330 1.00 0.00 O ATOM 1505 CB MET A 104 3.594 9.180 -6.635 1.00 0.00 C ATOM 1506 CG MET A 104 5.060 8.880 -6.905 1.00 0.00 C ATOM 1507 SD MET A 104 5.718 9.822 -8.294 1.00 0.00 S ATOM 1508 CE MET A 104 5.902 11.440 -7.548 1.00 0.00 C ATOM 0 H MET A 104 4.719 9.843 -4.542 1.00 0.00 H new ATOM 0 HA MET A 104 2.083 9.020 -5.116 1.00 0.00 H new ATOM 0 HB2 MET A 104 2.987 8.708 -7.407 1.00 0.00 H new ATOM 0 HB3 MET A 104 3.431 10.255 -6.714 1.00 0.00 H new ATOM 0 HG2 MET A 104 5.643 9.103 -6.011 1.00 0.00 H new ATOM 0 HG3 MET A 104 5.178 7.815 -7.105 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.439 12.191 -8.189 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.417 11.448 -6.572 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.961 11.667 -7.429 1.00 0.00 H new ATOM 1518 N LEU A 105 4.362 6.641 -4.988 1.00 0.00 N ATOM 1519 CA LEU A 105 4.547 5.196 -4.904 1.00 0.00 C ATOM 1520 C LEU A 105 3.515 4.569 -3.971 1.00 0.00 C ATOM 1521 O LEU A 105 2.870 3.580 -4.319 1.00 0.00 O ATOM 1522 CB LEU A 105 5.959 4.870 -4.414 1.00 0.00 C ATOM 1523 CG LEU A 105 6.503 3.494 -4.800 1.00 0.00 C ATOM 1524 CD1 LEU A 105 6.902 3.471 -6.267 1.00 0.00 C ATOM 1525 CD2 LEU A 105 7.685 3.121 -3.917 1.00 0.00 C ATOM 0 H LEU A 105 5.219 7.183 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 105 4.410 4.778 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.640 5.629 -4.800 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.973 4.952 -3.327 1.00 0.00 H new ATOM 0 HG LEU A 105 5.715 2.756 -4.648 1.00 0.00 H new ATOM 0 HD11 LEU A 105 7.287 2.484 -6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.032 3.693 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.674 4.219 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.059 2.139 -4.206 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.477 3.861 -4.037 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.367 3.096 -2.875 1.00 0.00 H new ATOM 1537 N ALA A 106 3.364 5.152 -2.787 1.00 0.00 N ATOM 1538 CA ALA A 106 2.408 4.653 -1.806 1.00 0.00 C ATOM 1539 C ALA A 106 0.999 4.604 -2.389 1.00 0.00 C ATOM 1540 O ALA A 106 0.316 3.585 -2.298 1.00 0.00 O ATOM 1541 CB ALA A 106 2.434 5.519 -0.556 1.00 0.00 C ATOM 0 H ALA A 106 3.891 5.971 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 106 2.698 3.637 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.715 5.135 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.433 5.500 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.172 6.544 -0.818 1.00 0.00 H new ATOM 1547 N GLU A 107 0.572 5.712 -2.986 1.00 0.00 N ATOM 1548 CA GLU A 107 -0.757 5.794 -3.581 1.00 0.00 C ATOM 1549 C GLU A 107 -0.931 4.740 -4.671 1.00 0.00 C ATOM 1550 O GLU A 107 -1.896 3.975 -4.661 1.00 0.00 O ATOM 1551 CB GLU A 107 -0.994 7.189 -4.164 1.00 0.00 C ATOM 1552 CG GLU A 107 -2.393 7.386 -4.723 1.00 0.00 C ATOM 1553 CD GLU A 107 -2.455 8.485 -5.766 1.00 0.00 C ATOM 1554 OE1 GLU A 107 -1.472 8.643 -6.520 1.00 0.00 O ATOM 1555 OE2 GLU A 107 -3.485 9.187 -5.828 1.00 0.00 O ATOM 0 H GLU A 107 1.126 6.564 -3.071 1.00 0.00 H new ATOM 0 HA GLU A 107 -1.490 5.606 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.814 7.933 -3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -0.267 7.371 -4.955 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -2.739 6.451 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -3.076 7.625 -3.908 1.00 0.00 H new ATOM 1562 N ASP A 108 0.009 4.706 -5.608 1.00 0.00 N ATOM 1563 CA ASP A 108 -0.039 3.746 -6.705 1.00 0.00 C ATOM 1564 C ASP A 108 -0.155 2.320 -6.174 1.00 0.00 C ATOM 1565 O ASP A 108 -0.911 1.509 -6.707 1.00 0.00 O ATOM 1566 CB ASP A 108 1.208 3.877 -7.581 1.00 0.00 C ATOM 1567 CG ASP A 108 1.302 5.232 -8.255 1.00 0.00 C ATOM 1568 OD1 ASP A 108 0.783 6.216 -7.685 1.00 0.00 O ATOM 1569 OD2 ASP A 108 1.895 5.310 -9.351 1.00 0.00 O ATOM 0 H ASP A 108 0.814 5.332 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 108 -0.921 3.964 -7.307 1.00 0.00 H new ATOM 0 HB2 ASP A 108 2.096 3.716 -6.970 1.00 0.00 H new ATOM 0 HB3 ASP A 108 1.198 3.096 -8.341 1.00 0.00 H new ATOM 1574 N ALA A 109 0.601 2.023 -5.123 1.00 0.00 N ATOM 1575 CA ALA A 109 0.583 0.696 -4.520 1.00 0.00 C ATOM 1576 C ALA A 109 -0.808 0.349 -3.999 1.00 0.00 C ATOM 1577 O ALA A 109 -1.358 -0.704 -4.325 1.00 0.00 O ATOM 1578 CB ALA A 109 1.605 0.612 -3.396 1.00 0.00 C ATOM 0 H ALA A 109 1.234 2.683 -4.671 1.00 0.00 H new ATOM 0 HA ALA A 109 0.846 -0.029 -5.290 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.580 -0.385 -2.955 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.601 0.808 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 109 1.368 1.353 -2.632 1.00 0.00 H new ATOM 1584 N ILE A 110 -1.371 1.239 -3.190 1.00 0.00 N ATOM 1585 CA ILE A 110 -2.698 1.026 -2.625 1.00 0.00 C ATOM 1586 C ILE A 110 -3.698 0.630 -3.706 1.00 0.00 C ATOM 1587 O ILE A 110 -4.225 -0.483 -3.702 1.00 0.00 O ATOM 1588 CB ILE A 110 -3.211 2.286 -1.904 1.00 0.00 C ATOM 1589 CG1 ILE A 110 -2.293 2.640 -0.732 1.00 0.00 C ATOM 1590 CG2 ILE A 110 -4.638 2.075 -1.420 1.00 0.00 C ATOM 1591 CD1 ILE A 110 -2.429 4.073 -0.269 1.00 0.00 C ATOM 0 H ILE A 110 -0.929 2.115 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.607 0.215 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 110 -3.206 3.117 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -2.511 1.975 0.103 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -1.259 2.458 -1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -4.987 2.974 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.284 1.866 -2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.667 1.233 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -1.749 4.252 0.564 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.182 4.746 -1.090 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -3.454 4.255 0.054 1.00 0.00 H new ATOM 1603 N LYS A 111 -3.954 1.547 -4.633 1.00 0.00 N ATOM 1604 CA LYS A 111 -4.888 1.293 -5.723 1.00 0.00 C ATOM 1605 C LYS A 111 -4.655 -0.086 -6.330 1.00 0.00 C ATOM 1606 O LYS A 111 -5.556 -0.924 -6.355 1.00 0.00 O ATOM 1607 CB LYS A 111 -4.746 2.368 -6.804 1.00 0.00 C ATOM 1608 CG LYS A 111 -5.592 3.603 -6.548 1.00 0.00 C ATOM 1609 CD LYS A 111 -4.828 4.647 -5.752 1.00 0.00 C ATOM 1610 CE LYS A 111 -5.766 5.514 -4.925 1.00 0.00 C ATOM 1611 NZ LYS A 111 -5.991 4.949 -3.566 1.00 0.00 N ATOM 0 H LYS A 111 -3.527 2.473 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.899 1.325 -5.316 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.699 2.663 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.023 1.941 -7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.911 4.030 -7.499 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.495 3.321 -6.007 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.113 4.153 -5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.254 5.276 -6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -5.349 6.517 -4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -6.721 5.610 -5.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -6.736 5.491 -3.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -6.284 3.954 -3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -5.110 5.007 -3.016 1.00 0.00 H new ATOM 1625 N ALA A 112 -3.440 -0.317 -6.816 1.00 0.00 N ATOM 1626 CA ALA A 112 -3.088 -1.596 -7.419 1.00 0.00 C ATOM 1627 C ALA A 112 -3.650 -2.758 -6.607 1.00 0.00 C ATOM 1628 O ALA A 112 -4.242 -3.685 -7.160 1.00 0.00 O ATOM 1629 CB ALA A 112 -1.577 -1.721 -7.547 1.00 0.00 C ATOM 0 H ALA A 112 -2.682 0.366 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.530 -1.635 -8.415 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -1.328 -2.681 -7.999 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.197 -0.915 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -1.122 -1.656 -6.559 1.00 0.00 H new ATOM 1635 N ALA A 113 -3.460 -2.703 -5.293 1.00 0.00 N ATOM 1636 CA ALA A 113 -3.950 -3.751 -4.406 1.00 0.00 C ATOM 1637 C ALA A 113 -5.443 -3.987 -4.606 1.00 0.00 C ATOM 1638 O ALA A 113 -5.852 -5.013 -5.150 1.00 0.00 O ATOM 1639 CB ALA A 113 -3.660 -3.393 -2.956 1.00 0.00 C ATOM 0 H ALA A 113 -2.970 -1.944 -4.819 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.427 -4.675 -4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -4.031 -4.184 -2.305 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.585 -3.283 -2.817 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -4.156 -2.455 -2.707 1.00 0.00 H new ATOM 1645 N LEU A 114 -6.252 -3.031 -4.164 1.00 0.00 N ATOM 1646 CA LEU A 114 -7.702 -3.135 -4.294 1.00 0.00 C ATOM 1647 C LEU A 114 -8.094 -3.530 -5.714 1.00 0.00 C ATOM 1648 O LEU A 114 -8.733 -4.559 -5.929 1.00 0.00 O ATOM 1649 CB LEU A 114 -8.364 -1.808 -3.920 1.00 0.00 C ATOM 1650 CG LEU A 114 -7.901 -1.173 -2.608 1.00 0.00 C ATOM 1651 CD1 LEU A 114 -7.579 -2.246 -1.580 1.00 0.00 C ATOM 1652 CD2 LEU A 114 -6.691 -0.280 -2.845 1.00 0.00 C ATOM 0 H LEU A 114 -5.929 -2.175 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 114 -8.049 -3.911 -3.612 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.187 -1.097 -4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -9.441 -1.965 -3.864 1.00 0.00 H new ATOM 0 HG LEU A 114 -8.712 -0.557 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -7.251 -1.775 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -8.469 -2.845 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -6.785 -2.888 -1.961 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.375 0.163 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.876 -0.874 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -6.955 0.511 -3.547 1.00 0.00 H new ATOM 1664 N ALA A 115 -7.705 -2.705 -6.681 1.00 0.00 N ATOM 1665 CA ALA A 115 -8.012 -2.970 -8.081 1.00 0.00 C ATOM 1666 C ALA A 115 -7.845 -4.449 -8.409 1.00 0.00 C ATOM 1667 O ALA A 115 -8.817 -5.143 -8.707 1.00 0.00 O ATOM 1668 CB ALA A 115 -7.128 -2.123 -8.984 1.00 0.00 C ATOM 0 H ALA A 115 -7.177 -1.848 -6.520 1.00 0.00 H new ATOM 0 HA ALA A 115 -9.054 -2.702 -8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.368 -2.331 -10.027 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.301 -1.067 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -6.081 -2.363 -8.798 1.00 0.00 H new ATOM 1674 N ASP A 116 -6.606 -4.926 -8.352 1.00 0.00 N ATOM 1675 CA ASP A 116 -6.312 -6.325 -8.643 1.00 0.00 C ATOM 1676 C ASP A 116 -7.346 -7.243 -7.999 1.00 0.00 C ATOM 1677 O ASP A 116 -7.897 -8.129 -8.654 1.00 0.00 O ATOM 1678 CB ASP A 116 -4.911 -6.687 -8.148 1.00 0.00 C ATOM 1679 CG ASP A 116 -3.833 -6.347 -9.159 1.00 0.00 C ATOM 1680 OD1 ASP A 116 -3.582 -7.175 -10.060 1.00 0.00 O ATOM 1681 OD2 ASP A 116 -3.242 -5.252 -9.050 1.00 0.00 O ATOM 0 H ASP A 116 -5.790 -4.365 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.354 -6.463 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.710 -6.159 -7.216 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -4.872 -7.753 -7.925 1.00 0.00 H new ATOM 1686 N TYR A 117 -7.602 -7.027 -6.714 1.00 0.00 N ATOM 1687 CA TYR A 117 -8.567 -7.838 -5.981 1.00 0.00 C ATOM 1688 C TYR A 117 -9.934 -7.804 -6.658 1.00 0.00 C ATOM 1689 O TYR A 117 -10.613 -8.825 -6.764 1.00 0.00 O ATOM 1690 CB TYR A 117 -8.688 -7.343 -4.538 1.00 0.00 C ATOM 1691 CG TYR A 117 -10.059 -7.559 -3.938 1.00 0.00 C ATOM 1692 CD1 TYR A 117 -10.396 -8.767 -3.341 1.00 0.00 C ATOM 1693 CD2 TYR A 117 -11.017 -6.552 -3.966 1.00 0.00 C ATOM 1694 CE1 TYR A 117 -11.648 -8.968 -2.792 1.00 0.00 C ATOM 1695 CE2 TYR A 117 -12.271 -6.744 -3.418 1.00 0.00 C ATOM 1696 CZ TYR A 117 -12.581 -7.954 -2.833 1.00 0.00 C ATOM 1697 OH TYR A 117 -13.829 -8.149 -2.285 1.00 0.00 O ATOM 0 H TYR A 117 -7.155 -6.298 -6.158 1.00 0.00 H new ATOM 0 HA TYR A 117 -8.209 -8.868 -5.977 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -7.947 -7.854 -3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.450 -6.280 -4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -9.667 -9.563 -3.305 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.777 -5.604 -4.424 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.894 -9.914 -2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -13.004 -5.951 -3.448 1.00 0.00 H new ATOM 0 HH TYR A 117 -14.366 -7.337 -2.396 1.00 0.00 H new ATOM 1707 N LYS A 118 -10.331 -6.622 -7.117 1.00 0.00 N ATOM 1708 CA LYS A 118 -11.615 -6.452 -7.786 1.00 0.00 C ATOM 1709 C LYS A 118 -11.633 -7.188 -9.122 1.00 0.00 C ATOM 1710 O LYS A 118 -12.596 -7.885 -9.446 1.00 0.00 O ATOM 1711 CB LYS A 118 -11.905 -4.966 -8.007 1.00 0.00 C ATOM 1712 CG LYS A 118 -12.152 -4.197 -6.720 1.00 0.00 C ATOM 1713 CD LYS A 118 -11.936 -2.705 -6.912 1.00 0.00 C ATOM 1714 CE LYS A 118 -11.476 -2.039 -5.625 1.00 0.00 C ATOM 1715 NZ LYS A 118 -11.945 -0.628 -5.532 1.00 0.00 N ATOM 0 H LYS A 118 -9.781 -5.767 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 118 -12.389 -6.876 -7.146 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -11.065 -4.515 -8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -12.777 -4.867 -8.653 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -13.171 -4.377 -6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -11.484 -4.565 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -11.194 -2.541 -7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -12.863 -2.243 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -11.850 -2.603 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -10.388 -2.064 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -11.885 -0.307 -4.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -11.346 -0.023 -6.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -12.931 -0.568 -5.857 1.00 0.00 H new ATOM 1729 N LEU A 119 -10.563 -7.031 -9.894 1.00 0.00 N ATOM 1730 CA LEU A 119 -10.456 -7.682 -11.195 1.00 0.00 C ATOM 1731 C LEU A 119 -10.892 -9.142 -11.111 1.00 0.00 C ATOM 1732 O LEU A 119 -11.622 -9.634 -11.971 1.00 0.00 O ATOM 1733 CB LEU A 119 -9.019 -7.596 -11.713 1.00 0.00 C ATOM 1734 CG LEU A 119 -8.365 -6.216 -11.650 1.00 0.00 C ATOM 1735 CD1 LEU A 119 -7.100 -6.185 -12.494 1.00 0.00 C ATOM 1736 CD2 LEU A 119 -9.340 -5.141 -12.108 1.00 0.00 C ATOM 0 H LEU A 119 -9.757 -6.459 -9.641 1.00 0.00 H new ATOM 0 HA LEU A 119 -11.118 -7.164 -11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -8.406 -8.293 -11.142 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.006 -7.935 -12.749 1.00 0.00 H new ATOM 0 HG LEU A 119 -8.092 -6.013 -10.615 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -6.649 -5.195 -12.437 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -6.395 -6.927 -12.120 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.349 -6.411 -13.531 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.857 -4.165 -12.056 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -9.645 -5.341 -13.135 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -10.217 -5.146 -11.461 1.00 0.00 H new ATOM 1748 N LYS A 120 -10.441 -9.829 -10.067 1.00 0.00 N ATOM 1749 CA LYS A 120 -10.786 -11.231 -9.867 1.00 0.00 C ATOM 1750 C LYS A 120 -12.273 -11.388 -9.564 1.00 0.00 C ATOM 1751 O LYS A 120 -12.936 -12.271 -10.108 1.00 0.00 O ATOM 1752 CB LYS A 120 -9.957 -11.824 -8.725 1.00 0.00 C ATOM 1753 CG LYS A 120 -8.506 -11.376 -8.730 1.00 0.00 C ATOM 1754 CD LYS A 120 -7.593 -12.437 -8.139 1.00 0.00 C ATOM 1755 CE LYS A 120 -7.060 -13.375 -9.211 1.00 0.00 C ATOM 1756 NZ LYS A 120 -6.212 -14.454 -8.633 1.00 0.00 N ATOM 0 H LYS A 120 -9.835 -9.437 -9.346 1.00 0.00 H new ATOM 0 HA LYS A 120 -10.562 -11.769 -10.788 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -10.411 -11.545 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -9.993 -12.912 -8.788 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -8.196 -11.156 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -8.408 -10.452 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -6.759 -11.957 -7.627 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -8.138 -13.011 -7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -7.895 -13.820 -9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -6.478 -12.805 -9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.868 -15.072 -9.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.401 -14.031 -8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.774 -15.014 -7.960 1.00 0.00 H new ATOM 1770 N GLN A 121 -12.790 -10.525 -8.696 1.00 0.00 N ATOM 1771 CA GLN A 121 -14.199 -10.568 -8.323 1.00 0.00 C ATOM 1772 C GLN A 121 -15.091 -10.446 -9.554 1.00 0.00 C ATOM 1773 O GLN A 121 -16.151 -11.068 -9.627 1.00 0.00 O ATOM 1774 CB GLN A 121 -14.520 -9.448 -7.332 1.00 0.00 C ATOM 1775 CG GLN A 121 -13.660 -9.479 -6.079 1.00 0.00 C ATOM 1776 CD GLN A 121 -14.025 -10.618 -5.148 1.00 0.00 C ATOM 1777 OE1 GLN A 121 -13.227 -11.679 -5.169 1.00 0.00 O flip ATOM 1778 NE2 GLN A 121 -15.014 -10.545 -4.418 1.00 0.00 N flip ATOM 0 H GLN A 121 -12.255 -9.788 -8.238 1.00 0.00 H new ATOM 0 HA GLN A 121 -14.395 -11.530 -7.849 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -14.389 -8.486 -7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -15.569 -9.518 -7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -12.612 -9.570 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -13.765 -8.533 -5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -15.600 -9.710 -4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -15.248 -11.320 -3.797 1.00 0.00 H new ATOM 1787 N GLU A 122 -14.656 -9.641 -10.517 1.00 0.00 N ATOM 1788 CA GLU A 122 -15.417 -9.437 -11.744 1.00 0.00 C ATOM 1789 C GLU A 122 -15.713 -10.769 -12.428 1.00 0.00 C ATOM 1790 O GLU A 122 -16.871 -11.153 -12.587 1.00 0.00 O ATOM 1791 CB GLU A 122 -14.652 -8.519 -12.700 1.00 0.00 C ATOM 1792 CG GLU A 122 -14.329 -7.157 -12.108 1.00 0.00 C ATOM 1793 CD GLU A 122 -15.529 -6.511 -11.443 1.00 0.00 C ATOM 1794 OE1 GLU A 122 -15.835 -6.874 -10.288 1.00 0.00 O ATOM 1795 OE2 GLU A 122 -16.161 -5.642 -12.078 1.00 0.00 O ATOM 0 H GLU A 122 -13.781 -9.119 -10.472 1.00 0.00 H new ATOM 0 HA GLU A 122 -16.363 -8.965 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -13.723 -9.008 -12.994 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -15.241 -8.381 -13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -13.527 -7.263 -11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -13.958 -6.501 -12.896 1.00 0.00 H new ATOM 1802 N SER A 123 -14.657 -11.467 -12.832 1.00 0.00 N ATOM 1803 CA SER A 123 -14.802 -12.754 -13.503 1.00 0.00 C ATOM 1804 C SER A 123 -14.464 -13.902 -12.556 1.00 0.00 C ATOM 1805 O SER A 123 -13.454 -13.866 -11.853 1.00 0.00 O ATOM 1806 CB SER A 123 -13.900 -12.814 -14.737 1.00 0.00 C ATOM 1807 OG SER A 123 -12.543 -12.608 -14.388 1.00 0.00 O ATOM 0 H SER A 123 -13.691 -11.163 -12.707 1.00 0.00 H new ATOM 0 HA SER A 123 -15.841 -12.858 -13.816 1.00 0.00 H new ATOM 0 HB2 SER A 123 -14.010 -13.783 -15.225 1.00 0.00 H new ATOM 0 HB3 SER A 123 -14.212 -12.057 -15.457 1.00 0.00 H new ATOM 0 HG SER A 123 -11.987 -12.653 -15.194 1.00 0.00 H new ATOM 1813 N LYS A 124 -15.318 -14.920 -12.543 1.00 0.00 N ATOM 1814 CA LYS A 124 -15.112 -16.081 -11.685 1.00 0.00 C ATOM 1815 C LYS A 124 -14.656 -17.286 -12.501 1.00 0.00 C ATOM 1816 O LYS A 124 -15.101 -18.410 -12.267 1.00 0.00 O ATOM 1817 CB LYS A 124 -16.400 -16.419 -10.932 1.00 0.00 C ATOM 1818 CG LYS A 124 -16.883 -15.303 -10.021 1.00 0.00 C ATOM 1819 CD LYS A 124 -16.187 -15.345 -8.671 1.00 0.00 C ATOM 1820 CE LYS A 124 -16.334 -14.026 -7.927 1.00 0.00 C ATOM 1821 NZ LYS A 124 -17.738 -13.788 -7.491 1.00 0.00 N ATOM 0 H LYS A 124 -16.160 -14.964 -13.117 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.331 -15.836 -10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.183 -16.652 -11.654 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.238 -17.318 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.700 -14.339 -10.496 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.960 -15.389 -9.879 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -16.606 -16.152 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -15.130 -15.568 -8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -15.678 -14.025 -7.056 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -16.010 -13.208 -8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -17.796 -12.880 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -18.361 -13.763 -8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -18.039 -14.555 -6.856 1.00 0.00 H new ATOM 1835 N SER A 125 -13.765 -17.045 -13.457 1.00 0.00 N ATOM 1836 CA SER A 125 -13.251 -18.112 -14.309 1.00 0.00 C ATOM 1837 C SER A 125 -11.947 -18.673 -13.749 1.00 0.00 C ATOM 1838 O SER A 125 -10.935 -17.976 -13.684 1.00 0.00 O ATOM 1839 CB SER A 125 -13.027 -17.594 -15.731 1.00 0.00 C ATOM 1840 OG SER A 125 -12.387 -18.570 -16.534 1.00 0.00 O ATOM 0 H SER A 125 -13.384 -16.121 -13.661 1.00 0.00 H new ATOM 0 HA SER A 125 -13.990 -18.913 -14.333 1.00 0.00 H new ATOM 0 HB2 SER A 125 -13.984 -17.322 -16.177 1.00 0.00 H new ATOM 0 HB3 SER A 125 -12.420 -16.689 -15.700 1.00 0.00 H new ATOM 0 HG SER A 125 -12.257 -18.215 -17.438 1.00 0.00 H new ATOM 1846 N GLY A 126 -11.980 -19.939 -13.345 1.00 0.00 N ATOM 1847 CA GLY A 126 -10.797 -20.574 -12.796 1.00 0.00 C ATOM 1848 C GLY A 126 -11.096 -21.927 -12.182 1.00 0.00 C ATOM 1849 O GLY A 126 -12.137 -22.132 -11.557 1.00 0.00 O ATOM 0 H GLY A 126 -12.806 -20.536 -13.388 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -10.054 -20.693 -13.584 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -10.358 -19.924 -12.039 1.00 0.00 H new ATOM 1853 N PRO A 127 -10.169 -22.880 -12.359 1.00 0.00 N ATOM 1854 CA PRO A 127 -10.317 -24.237 -11.826 1.00 0.00 C ATOM 1855 C PRO A 127 -10.210 -24.278 -10.305 1.00 0.00 C ATOM 1856 O PRO A 127 -10.589 -25.264 -9.673 1.00 0.00 O ATOM 1857 CB PRO A 127 -9.153 -24.998 -12.464 1.00 0.00 C ATOM 1858 CG PRO A 127 -8.133 -23.953 -12.759 1.00 0.00 C ATOM 1859 CD PRO A 127 -8.904 -22.705 -13.092 1.00 0.00 C ATOM 0 HA PRO A 127 -11.296 -24.659 -12.053 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -8.758 -25.757 -11.788 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -9.467 -25.512 -13.372 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -7.480 -23.791 -11.901 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -7.497 -24.253 -13.592 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -8.374 -21.808 -12.771 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -9.071 -22.610 -14.165 1.00 0.00 H new ATOM 1867 N SER A 128 -9.692 -23.201 -9.724 1.00 0.00 N ATOM 1868 CA SER A 128 -9.532 -23.115 -8.277 1.00 0.00 C ATOM 1869 C SER A 128 -10.200 -21.857 -7.730 1.00 0.00 C ATOM 1870 O SER A 128 -11.133 -21.934 -6.931 1.00 0.00 O ATOM 1871 CB SER A 128 -8.048 -23.121 -7.906 1.00 0.00 C ATOM 1872 OG SER A 128 -7.852 -23.625 -6.596 1.00 0.00 O ATOM 0 H SER A 128 -9.376 -22.376 -10.233 1.00 0.00 H new ATOM 0 HA SER A 128 -10.014 -23.984 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 128 -7.494 -23.730 -8.620 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.649 -22.109 -7.973 1.00 0.00 H new ATOM 0 HG SER A 128 -6.895 -23.620 -6.383 1.00 0.00 H new ATOM 1878 N SER A 129 -9.715 -20.699 -8.167 1.00 0.00 N ATOM 1879 CA SER A 129 -10.261 -19.424 -7.719 1.00 0.00 C ATOM 1880 C SER A 129 -9.735 -18.276 -8.576 1.00 0.00 C ATOM 1881 O SER A 129 -8.763 -18.433 -9.314 1.00 0.00 O ATOM 1882 CB SER A 129 -9.908 -19.181 -6.250 1.00 0.00 C ATOM 1883 OG SER A 129 -8.526 -18.909 -6.096 1.00 0.00 O ATOM 0 H SER A 129 -8.945 -20.618 -8.831 1.00 0.00 H new ATOM 0 HA SER A 129 -11.345 -19.465 -7.823 1.00 0.00 H new ATOM 0 HB2 SER A 129 -10.492 -18.344 -5.866 1.00 0.00 H new ATOM 0 HB3 SER A 129 -10.178 -20.056 -5.658 1.00 0.00 H new ATOM 0 HG SER A 129 -8.326 -18.756 -5.149 1.00 0.00 H new ATOM 1889 N GLY A 130 -10.387 -17.122 -8.474 1.00 0.00 N ATOM 1890 CA GLY A 130 -9.972 -15.965 -9.244 1.00 0.00 C ATOM 1891 C GLY A 130 -10.471 -16.011 -10.675 1.00 0.00 C ATOM 1892 O GLY A 130 -11.047 -17.021 -11.076 1.00 0.00 O ATOM 0 H GLY A 130 -11.196 -16.968 -7.871 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -10.342 -15.060 -8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -8.884 -15.904 -9.244 1.00 0.00 H new TER 1896 GLY A 130 HETATM 1897 ZN ZN A 201 13.489 6.211 -3.312 1.00 0.00 ZN