USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 688 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 Single : A 1 GLY N :NH3+ -110:sc= 0.158 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00476 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00534 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 72:sc= 0.119 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -23:sc= 1.27 USER MOD Single : A 23 MET CE :methyl 165:sc= -0.136 (180deg=-0.387) USER MOD Single : A 24 THR OG1 : rot -150:sc= 0 USER MOD Single : A 27 SER OG : rot -102:sc= 0.849 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot -160:sc= 0.176 USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.54) USER MOD Single : A 42 ASN : amide:sc= 0.4 X(o=0.4,f=-0.001) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.08 (180deg=1.06) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00333 X(o=-0.0033,f=-0.12) USER MOD Single : A 51 SER OG : rot -36:sc= 0.0497 USER MOD Single : A 52 GLN : amide:sc= -0.0219 K(o=-0.022,f=-2.1!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.027 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc=-0.00636 K(o=-0.0064,f=-1.1) USER MOD Single : A 63 MET CE :methyl 179:sc= -1.36 (180deg=-1.36) USER MOD Single : A 66 CYS SG : rot -2:sc= 0.429 USER MOD Single : A 71 THR OG1 : rot -104:sc= 0.173 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 74 SER OG : rot 170:sc= -0.0353 USER MOD Single : A 78 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 82 HIS : no HE2:sc= 0.351 K(o=0.35,f=-1.3) USER MOD Single : A 84 SER OG : rot 160:sc= 1.4 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.617 -27.045 -37.999 1.00 0.00 N ATOM 2 CA GLY A 1 27.211 -27.592 -36.768 1.00 0.00 C ATOM 3 C GLY A 1 26.718 -26.774 -35.590 1.00 0.00 C ATOM 4 O GLY A 1 26.345 -25.622 -35.794 1.00 0.00 O ATOM 0 H1 GLY A 1 25.919 -27.717 -38.376 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.148 -26.141 -37.786 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.364 -26.890 -38.706 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.932 -28.639 -36.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 28.299 -27.557 -36.825 1.00 0.00 H new ATOM 8 N SER A 2 26.689 -27.358 -34.394 1.00 0.00 N ATOM 9 CA SER A 2 26.238 -26.713 -33.169 1.00 0.00 C ATOM 10 C SER A 2 27.073 -27.278 -32.015 1.00 0.00 C ATOM 11 O SER A 2 27.715 -28.318 -32.181 1.00 0.00 O ATOM 12 CB SER A 2 24.743 -27.014 -32.967 1.00 0.00 C ATOM 13 OG SER A 2 23.998 -26.727 -34.141 1.00 0.00 O ATOM 0 H SER A 2 26.988 -28.322 -34.249 1.00 0.00 H new ATOM 0 HA SER A 2 26.364 -25.631 -33.215 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.614 -28.062 -32.698 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.359 -26.422 -32.136 1.00 0.00 H new ATOM 0 HG SER A 2 23.052 -26.929 -33.985 1.00 0.00 H new ATOM 19 N SER A 3 27.033 -26.630 -30.851 1.00 0.00 N ATOM 20 CA SER A 3 27.781 -27.045 -29.661 1.00 0.00 C ATOM 21 C SER A 3 26.987 -26.814 -28.367 1.00 0.00 C ATOM 22 O SER A 3 27.510 -27.027 -27.279 1.00 0.00 O ATOM 23 CB SER A 3 29.124 -26.298 -29.629 1.00 0.00 C ATOM 24 OG SER A 3 29.790 -26.411 -30.877 1.00 0.00 O ATOM 0 H SER A 3 26.473 -25.790 -30.705 1.00 0.00 H new ATOM 0 HA SER A 3 27.960 -28.118 -29.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.956 -25.247 -29.395 1.00 0.00 H new ATOM 0 HB3 SER A 3 29.753 -26.704 -28.837 1.00 0.00 H new ATOM 0 HG SER A 3 30.642 -25.928 -30.838 1.00 0.00 H new ATOM 30 N GLY A 4 25.728 -26.390 -28.475 1.00 0.00 N ATOM 31 CA GLY A 4 24.821 -26.103 -27.379 1.00 0.00 C ATOM 32 C GLY A 4 23.687 -25.251 -27.944 1.00 0.00 C ATOM 33 O GLY A 4 23.605 -25.070 -29.164 1.00 0.00 O ATOM 0 H GLY A 4 25.295 -26.231 -29.385 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.432 -27.026 -26.950 1.00 0.00 H new ATOM 0 HA3 GLY A 4 25.339 -25.573 -26.579 1.00 0.00 H new ATOM 37 N SER A 5 22.796 -24.773 -27.078 1.00 0.00 N ATOM 38 CA SER A 5 21.659 -23.931 -27.417 1.00 0.00 C ATOM 39 C SER A 5 21.326 -23.111 -26.173 1.00 0.00 C ATOM 40 O SER A 5 21.695 -23.499 -25.063 1.00 0.00 O ATOM 41 CB SER A 5 20.469 -24.812 -27.831 1.00 0.00 C ATOM 42 OG SER A 5 19.368 -24.043 -28.274 1.00 0.00 O ATOM 0 H SER A 5 22.852 -24.972 -26.079 1.00 0.00 H new ATOM 0 HA SER A 5 21.885 -23.270 -28.254 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.780 -25.491 -28.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.164 -25.429 -26.986 1.00 0.00 H new ATOM 0 HG SER A 5 18.634 -24.640 -28.529 1.00 0.00 H new ATOM 48 N SER A 6 20.660 -21.975 -26.359 1.00 0.00 N ATOM 49 CA SER A 6 20.244 -21.099 -25.280 1.00 0.00 C ATOM 50 C SER A 6 18.857 -21.534 -24.795 1.00 0.00 C ATOM 51 O SER A 6 18.141 -22.247 -25.506 1.00 0.00 O ATOM 52 CB SER A 6 20.216 -19.656 -25.812 1.00 0.00 C ATOM 53 OG SER A 6 19.561 -19.571 -27.068 1.00 0.00 O ATOM 0 H SER A 6 20.392 -21.636 -27.283 1.00 0.00 H new ATOM 0 HA SER A 6 20.936 -21.154 -24.440 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.708 -19.013 -25.093 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.236 -19.284 -25.908 1.00 0.00 H new ATOM 0 HG SER A 6 18.597 -19.697 -26.943 1.00 0.00 H new ATOM 59 N GLY A 7 18.492 -21.126 -23.580 1.00 0.00 N ATOM 60 CA GLY A 7 17.189 -21.419 -22.999 1.00 0.00 C ATOM 61 C GLY A 7 16.252 -20.275 -23.389 1.00 0.00 C ATOM 62 O GLY A 7 16.723 -19.211 -23.816 1.00 0.00 O ATOM 0 H GLY A 7 19.099 -20.579 -22.969 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.808 -22.371 -23.369 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.262 -21.504 -21.915 1.00 0.00 H new ATOM 66 N PHE A 8 14.946 -20.458 -23.225 1.00 0.00 N ATOM 67 CA PHE A 8 13.935 -19.464 -23.554 1.00 0.00 C ATOM 68 C PHE A 8 12.849 -19.501 -22.483 1.00 0.00 C ATOM 69 O PHE A 8 12.081 -20.466 -22.411 1.00 0.00 O ATOM 70 CB PHE A 8 13.368 -19.722 -24.960 1.00 0.00 C ATOM 71 CG PHE A 8 14.314 -19.347 -26.088 1.00 0.00 C ATOM 72 CD1 PHE A 8 14.294 -18.041 -26.616 1.00 0.00 C ATOM 73 CD2 PHE A 8 15.220 -20.293 -26.608 1.00 0.00 C ATOM 74 CE1 PHE A 8 15.164 -17.688 -27.664 1.00 0.00 C ATOM 75 CE2 PHE A 8 16.098 -19.937 -27.648 1.00 0.00 C ATOM 76 CZ PHE A 8 16.067 -18.636 -28.178 1.00 0.00 C ATOM 0 H PHE A 8 14.554 -21.322 -22.851 1.00 0.00 H new ATOM 0 HA PHE A 8 14.375 -18.467 -23.570 1.00 0.00 H new ATOM 0 HB2 PHE A 8 13.114 -20.778 -25.049 1.00 0.00 H new ATOM 0 HB3 PHE A 8 12.441 -19.160 -25.075 1.00 0.00 H new ATOM 0 HD1 PHE A 8 13.609 -17.309 -26.215 1.00 0.00 H new ATOM 0 HD2 PHE A 8 15.240 -21.295 -26.206 1.00 0.00 H new ATOM 0 HE1 PHE A 8 15.138 -16.689 -28.074 1.00 0.00 H new ATOM 0 HE2 PHE A 8 16.795 -20.663 -28.039 1.00 0.00 H new ATOM 0 HZ PHE A 8 16.737 -18.364 -28.980 1.00 0.00 H new ATOM 86 N GLU A 9 12.787 -18.439 -21.676 1.00 0.00 N ATOM 87 CA GLU A 9 11.852 -18.206 -20.575 1.00 0.00 C ATOM 88 C GLU A 9 11.682 -19.454 -19.687 1.00 0.00 C ATOM 89 O GLU A 9 10.656 -20.133 -19.759 1.00 0.00 O ATOM 90 CB GLU A 9 10.516 -17.674 -21.129 1.00 0.00 C ATOM 91 CG GLU A 9 10.592 -16.221 -21.625 1.00 0.00 C ATOM 92 CD GLU A 9 10.271 -15.221 -20.510 1.00 0.00 C ATOM 93 OE1 GLU A 9 11.184 -14.761 -19.784 1.00 0.00 O ATOM 94 OE2 GLU A 9 9.084 -14.851 -20.356 1.00 0.00 O ATOM 0 H GLU A 9 13.439 -17.662 -21.784 1.00 0.00 H new ATOM 0 HA GLU A 9 12.267 -17.441 -19.918 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.192 -18.313 -21.950 1.00 0.00 H new ATOM 0 HB3 GLU A 9 9.756 -17.745 -20.351 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.590 -16.022 -22.015 1.00 0.00 H new ATOM 0 HG3 GLU A 9 9.894 -16.082 -22.450 1.00 0.00 H new ATOM 101 N PRO A 10 12.659 -19.773 -18.817 1.00 0.00 N ATOM 102 CA PRO A 10 12.572 -20.935 -17.932 1.00 0.00 C ATOM 103 C PRO A 10 11.504 -20.773 -16.835 1.00 0.00 C ATOM 104 O PRO A 10 11.186 -21.746 -16.158 1.00 0.00 O ATOM 105 CB PRO A 10 13.980 -21.111 -17.354 1.00 0.00 C ATOM 106 CG PRO A 10 14.566 -19.701 -17.385 1.00 0.00 C ATOM 107 CD PRO A 10 13.922 -19.075 -18.621 1.00 0.00 C ATOM 0 HA PRO A 10 12.250 -21.821 -18.480 1.00 0.00 H new ATOM 0 HB2 PRO A 10 13.949 -21.509 -16.340 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.573 -21.804 -17.950 1.00 0.00 H new ATOM 0 HG2 PRO A 10 14.322 -19.145 -16.480 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.653 -19.720 -17.464 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.758 -18.007 -18.476 1.00 0.00 H new ATOM 0 HD3 PRO A 10 14.567 -19.184 -19.493 1.00 0.00 H new ATOM 115 N ARG A 11 10.922 -19.578 -16.681 1.00 0.00 N ATOM 116 CA ARG A 11 9.890 -19.207 -15.712 1.00 0.00 C ATOM 117 C ARG A 11 10.159 -19.770 -14.319 1.00 0.00 C ATOM 118 O ARG A 11 9.392 -20.588 -13.803 1.00 0.00 O ATOM 119 CB ARG A 11 8.490 -19.529 -16.259 1.00 0.00 C ATOM 120 CG ARG A 11 8.136 -18.597 -17.419 1.00 0.00 C ATOM 121 CD ARG A 11 6.660 -18.715 -17.814 1.00 0.00 C ATOM 122 NE ARG A 11 6.299 -17.591 -18.687 1.00 0.00 N ATOM 123 CZ ARG A 11 6.075 -16.340 -18.283 1.00 0.00 C ATOM 124 NH1 ARG A 11 5.848 -16.080 -16.997 1.00 0.00 N ATOM 125 NH2 ARG A 11 6.083 -15.354 -19.167 1.00 0.00 N ATOM 0 H ARG A 11 11.180 -18.790 -17.274 1.00 0.00 H new ATOM 0 HA ARG A 11 9.928 -18.126 -15.575 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.455 -20.565 -16.595 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.751 -19.426 -15.464 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.356 -17.567 -17.138 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.762 -18.833 -18.279 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.484 -19.660 -18.327 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.032 -18.714 -16.923 1.00 0.00 H new ATOM 0 HE ARG A 11 6.212 -17.783 -19.685 1.00 0.00 H new ATOM 0 HH11 ARG A 11 5.845 -16.839 -16.316 1.00 0.00 H new ATOM 0 HH12 ARG A 11 5.677 -15.121 -16.693 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.260 -15.553 -20.152 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.912 -14.395 -18.863 1.00 0.00 H new ATOM 139 N SER A 12 11.249 -19.310 -13.712 1.00 0.00 N ATOM 140 CA SER A 12 11.675 -19.701 -12.374 1.00 0.00 C ATOM 141 C SER A 12 10.738 -19.086 -11.310 1.00 0.00 C ATOM 142 O SER A 12 9.781 -18.375 -11.653 1.00 0.00 O ATOM 143 CB SER A 12 13.147 -19.293 -12.209 1.00 0.00 C ATOM 144 OG SER A 12 13.323 -17.888 -12.335 1.00 0.00 O ATOM 0 H SER A 12 11.877 -18.636 -14.150 1.00 0.00 H new ATOM 0 HA SER A 12 11.606 -20.780 -12.233 1.00 0.00 H new ATOM 0 HB2 SER A 12 13.507 -19.618 -11.233 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.752 -19.804 -12.958 1.00 0.00 H new ATOM 0 HG SER A 12 14.271 -17.666 -12.223 1.00 0.00 H new ATOM 150 N LEU A 13 10.976 -19.364 -10.023 1.00 0.00 N ATOM 151 CA LEU A 13 10.198 -18.861 -8.886 1.00 0.00 C ATOM 152 C LEU A 13 11.162 -18.588 -7.737 1.00 0.00 C ATOM 153 O LEU A 13 12.001 -19.440 -7.435 1.00 0.00 O ATOM 154 CB LEU A 13 9.138 -19.899 -8.463 1.00 0.00 C ATOM 155 CG LEU A 13 7.970 -19.291 -7.661 1.00 0.00 C ATOM 156 CD1 LEU A 13 6.668 -20.051 -7.950 1.00 0.00 C ATOM 157 CD2 LEU A 13 8.201 -19.313 -6.150 1.00 0.00 C ATOM 0 H LEU A 13 11.745 -19.969 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 13 9.677 -17.944 -9.163 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.742 -20.386 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.617 -20.672 -7.863 1.00 0.00 H new ATOM 0 HG LEU A 13 7.900 -18.252 -7.983 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.854 -19.609 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.438 -19.988 -9.014 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.786 -21.097 -7.666 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.343 -18.871 -5.644 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.328 -20.343 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.097 -18.741 -5.911 1.00 0.00 H new ATOM 169 N ILE A 14 11.086 -17.417 -7.104 1.00 0.00 N ATOM 170 CA ILE A 14 11.966 -17.089 -5.991 1.00 0.00 C ATOM 171 C ILE A 14 11.311 -17.609 -4.716 1.00 0.00 C ATOM 172 O ILE A 14 10.407 -16.975 -4.172 1.00 0.00 O ATOM 173 CB ILE A 14 12.346 -15.594 -5.924 1.00 0.00 C ATOM 174 CG1 ILE A 14 12.938 -15.080 -7.255 1.00 0.00 C ATOM 175 CG2 ILE A 14 13.418 -15.424 -4.827 1.00 0.00 C ATOM 176 CD1 ILE A 14 11.896 -14.547 -8.242 1.00 0.00 C ATOM 0 H ILE A 14 10.422 -16.682 -7.346 1.00 0.00 H new ATOM 0 HA ILE A 14 12.929 -17.580 -6.132 1.00 0.00 H new ATOM 0 HB ILE A 14 11.442 -15.023 -5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.655 -14.288 -7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.491 -15.890 -7.730 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.705 -14.375 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 14 13.014 -15.753 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 14 14.293 -16.024 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 14 12.395 -14.206 -9.149 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.192 -15.341 -8.491 1.00 0.00 H new ATOM 0 HD13 ILE A 14 11.358 -13.714 -7.789 1.00 0.00 H new ATOM 188 N THR A 15 11.763 -18.771 -4.257 1.00 0.00 N ATOM 189 CA THR A 15 11.296 -19.454 -3.055 1.00 0.00 C ATOM 190 C THR A 15 12.044 -18.975 -1.793 1.00 0.00 C ATOM 191 O THR A 15 11.789 -19.471 -0.695 1.00 0.00 O ATOM 192 CB THR A 15 11.447 -20.971 -3.295 1.00 0.00 C ATOM 193 OG1 THR A 15 12.643 -21.273 -4.001 1.00 0.00 O ATOM 194 CG2 THR A 15 10.305 -21.502 -4.163 1.00 0.00 C ATOM 0 H THR A 15 12.501 -19.288 -4.736 1.00 0.00 H new ATOM 0 HA THR A 15 10.249 -19.217 -2.868 1.00 0.00 H new ATOM 0 HB THR A 15 11.450 -21.431 -2.307 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.708 -22.242 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.434 -22.573 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.353 -21.319 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.313 -20.992 -5.127 1.00 0.00 H new ATOM 202 N SER A 16 12.983 -18.035 -1.930 1.00 0.00 N ATOM 203 CA SER A 16 13.771 -17.497 -0.833 1.00 0.00 C ATOM 204 C SER A 16 12.977 -16.448 -0.057 1.00 0.00 C ATOM 205 O SER A 16 12.562 -15.439 -0.628 1.00 0.00 O ATOM 206 CB SER A 16 15.069 -16.920 -1.388 1.00 0.00 C ATOM 207 OG SER A 16 15.781 -17.970 -2.013 1.00 0.00 O ATOM 0 H SER A 16 13.217 -17.621 -2.832 1.00 0.00 H new ATOM 0 HA SER A 16 14.013 -18.296 -0.132 1.00 0.00 H new ATOM 0 HB2 SER A 16 14.858 -16.124 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 16 15.664 -16.480 -0.587 1.00 0.00 H new ATOM 0 HG SER A 16 16.621 -17.623 -2.380 1.00 0.00 H new ATOM 213 N ASP A 17 12.715 -16.710 1.219 1.00 0.00 N ATOM 214 CA ASP A 17 11.972 -15.852 2.137 1.00 0.00 C ATOM 215 C ASP A 17 12.839 -14.712 2.677 1.00 0.00 C ATOM 216 O ASP A 17 13.989 -14.920 3.075 1.00 0.00 O ATOM 217 CB ASP A 17 11.476 -16.708 3.307 1.00 0.00 C ATOM 218 CG ASP A 17 10.980 -15.868 4.489 1.00 0.00 C ATOM 219 OD1 ASP A 17 9.838 -15.363 4.439 1.00 0.00 O ATOM 220 OD2 ASP A 17 11.722 -15.755 5.489 1.00 0.00 O ATOM 0 H ASP A 17 13.031 -17.571 1.665 1.00 0.00 H new ATOM 0 HA ASP A 17 11.138 -15.406 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.669 -17.354 2.962 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.283 -17.359 3.643 1.00 0.00 H new ATOM 225 N LYS A 18 12.264 -13.510 2.734 1.00 0.00 N ATOM 226 CA LYS A 18 12.893 -12.292 3.239 1.00 0.00 C ATOM 227 C LYS A 18 12.174 -11.784 4.486 1.00 0.00 C ATOM 228 O LYS A 18 12.821 -11.118 5.303 1.00 0.00 O ATOM 229 CB LYS A 18 12.897 -11.188 2.169 1.00 0.00 C ATOM 230 CG LYS A 18 13.910 -11.443 1.046 1.00 0.00 C ATOM 231 CD LYS A 18 13.800 -10.341 -0.016 1.00 0.00 C ATOM 232 CE LYS A 18 14.978 -10.398 -0.994 1.00 0.00 C ATOM 233 NZ LYS A 18 14.832 -9.389 -2.062 1.00 0.00 N ATOM 0 H LYS A 18 11.308 -13.354 2.416 1.00 0.00 H new ATOM 0 HA LYS A 18 13.923 -12.541 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.899 -11.104 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.121 -10.232 2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.920 -11.467 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.726 -12.417 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.864 -10.451 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.773 -9.365 0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.910 -10.229 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.040 -11.393 -1.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.643 -9.450 -2.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.953 -9.566 -2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.796 -8.439 -1.640 1.00 0.00 H new ATOM 247 N GLY A 19 10.891 -12.104 4.654 1.00 0.00 N ATOM 248 CA GLY A 19 10.053 -11.690 5.764 1.00 0.00 C ATOM 249 C GLY A 19 8.805 -11.046 5.171 1.00 0.00 C ATOM 250 O GLY A 19 8.285 -11.568 4.184 1.00 0.00 O ATOM 0 H GLY A 19 10.390 -12.687 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.787 -12.545 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 19 10.583 -10.984 6.404 1.00 0.00 H new ATOM 254 N PHE A 20 8.284 -9.979 5.779 1.00 0.00 N ATOM 255 CA PHE A 20 7.098 -9.263 5.299 1.00 0.00 C ATOM 256 C PHE A 20 7.526 -8.093 4.405 1.00 0.00 C ATOM 257 O PHE A 20 8.709 -7.732 4.337 1.00 0.00 O ATOM 258 CB PHE A 20 6.237 -8.786 6.485 1.00 0.00 C ATOM 259 CG PHE A 20 5.132 -9.758 6.858 1.00 0.00 C ATOM 260 CD1 PHE A 20 5.455 -11.016 7.402 1.00 0.00 C ATOM 261 CD2 PHE A 20 3.784 -9.434 6.604 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.440 -11.947 7.681 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.768 -10.369 6.873 1.00 0.00 C ATOM 264 CZ PHE A 20 3.099 -11.623 7.414 1.00 0.00 C ATOM 0 H PHE A 20 8.679 -9.581 6.631 1.00 0.00 H new ATOM 0 HA PHE A 20 6.485 -9.940 4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 20 6.880 -8.629 7.351 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.794 -7.821 6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.486 -11.266 7.605 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.530 -8.464 6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.690 -12.910 8.100 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.737 -10.124 6.664 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.320 -12.340 7.625 1.00 0.00 H new ATOM 274 N VAL A 21 6.569 -7.464 3.725 1.00 0.00 N ATOM 275 CA VAL A 21 6.826 -6.341 2.844 1.00 0.00 C ATOM 276 C VAL A 21 5.768 -5.261 3.058 1.00 0.00 C ATOM 277 O VAL A 21 4.560 -5.515 3.092 1.00 0.00 O ATOM 278 CB VAL A 21 6.978 -6.844 1.396 1.00 0.00 C ATOM 279 CG1 VAL A 21 5.712 -7.495 0.829 1.00 0.00 C ATOM 280 CG2 VAL A 21 7.457 -5.739 0.452 1.00 0.00 C ATOM 0 H VAL A 21 5.585 -7.727 3.775 1.00 0.00 H new ATOM 0 HA VAL A 21 7.774 -5.857 3.080 1.00 0.00 H new ATOM 0 HB VAL A 21 7.740 -7.621 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.898 -7.823 -0.194 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.439 -8.354 1.442 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.897 -6.771 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.550 -6.138 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.736 -4.921 0.454 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.426 -5.369 0.787 1.00 0.00 H new ATOM 290 N THR A 22 6.245 -4.043 3.280 1.00 0.00 N ATOM 291 CA THR A 22 5.403 -2.885 3.478 1.00 0.00 C ATOM 292 C THR A 22 4.935 -2.434 2.090 1.00 0.00 C ATOM 293 O THR A 22 5.651 -2.558 1.094 1.00 0.00 O ATOM 294 CB THR A 22 6.201 -1.810 4.235 1.00 0.00 C ATOM 295 OG1 THR A 22 6.716 -2.344 5.451 1.00 0.00 O ATOM 296 CG2 THR A 22 5.354 -0.580 4.571 1.00 0.00 C ATOM 0 H THR A 22 7.243 -3.836 3.327 1.00 0.00 H new ATOM 0 HA THR A 22 4.524 -3.097 4.086 1.00 0.00 H new ATOM 0 HB THR A 22 7.011 -1.502 3.573 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.173 -3.112 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.965 0.148 5.105 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.980 -0.133 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.513 -0.877 5.198 1.00 0.00 H new ATOM 304 N MET A 23 3.718 -1.910 2.023 1.00 0.00 N ATOM 305 CA MET A 23 3.072 -1.406 0.827 1.00 0.00 C ATOM 306 C MET A 23 2.557 -0.015 1.163 1.00 0.00 C ATOM 307 O MET A 23 2.245 0.289 2.323 1.00 0.00 O ATOM 308 CB MET A 23 1.902 -2.323 0.451 1.00 0.00 C ATOM 309 CG MET A 23 2.328 -3.586 -0.298 1.00 0.00 C ATOM 310 SD MET A 23 2.563 -3.359 -2.078 1.00 0.00 S ATOM 311 CE MET A 23 1.832 -4.913 -2.663 1.00 0.00 C ATOM 0 H MET A 23 3.126 -1.822 2.849 1.00 0.00 H new ATOM 0 HA MET A 23 3.763 -1.373 -0.016 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.371 -2.611 1.358 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.198 -1.765 -0.166 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.259 -3.953 0.135 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.576 -4.359 -0.139 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.642 -4.845 -3.734 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.521 -5.735 -2.468 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.894 -5.094 -2.139 1.00 0.00 H new ATOM 321 N THR A 24 2.456 0.841 0.160 1.00 0.00 N ATOM 322 CA THR A 24 1.968 2.204 0.283 1.00 0.00 C ATOM 323 C THR A 24 0.864 2.352 -0.752 1.00 0.00 C ATOM 324 O THR A 24 0.940 1.740 -1.825 1.00 0.00 O ATOM 325 CB THR A 24 3.104 3.220 0.080 1.00 0.00 C ATOM 326 OG1 THR A 24 4.309 2.750 0.665 1.00 0.00 O ATOM 327 CG2 THR A 24 2.759 4.549 0.743 1.00 0.00 C ATOM 0 H THR A 24 2.721 0.598 -0.795 1.00 0.00 H new ATOM 0 HA THR A 24 1.580 2.404 1.282 1.00 0.00 H new ATOM 0 HB THR A 24 3.232 3.352 -0.994 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.850 3.513 0.958 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.575 5.255 0.589 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.845 4.949 0.303 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.610 4.395 1.812 1.00 0.00 H new ATOM 335 N LEU A 25 -0.157 3.139 -0.429 1.00 0.00 N ATOM 336 CA LEU A 25 -1.275 3.374 -1.312 1.00 0.00 C ATOM 337 C LEU A 25 -1.499 4.882 -1.313 1.00 0.00 C ATOM 338 O LEU A 25 -1.977 5.411 -0.313 1.00 0.00 O ATOM 339 CB LEU A 25 -2.469 2.555 -0.791 1.00 0.00 C ATOM 340 CG LEU A 25 -3.619 2.446 -1.798 1.00 0.00 C ATOM 341 CD1 LEU A 25 -3.271 1.468 -2.925 1.00 0.00 C ATOM 342 CD2 LEU A 25 -4.899 1.966 -1.102 1.00 0.00 C ATOM 0 H LEU A 25 -0.225 3.632 0.462 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.114 3.055 -2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.127 1.553 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.841 3.012 0.126 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.780 3.438 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.104 1.409 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.381 1.817 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.081 0.481 -2.504 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.705 1.894 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.725 0.987 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.177 2.675 -0.323 1.00 0.00 H new ATOM 354 N GLU A 26 -1.135 5.577 -2.391 1.00 0.00 N ATOM 355 CA GLU A 26 -1.292 7.029 -2.512 1.00 0.00 C ATOM 356 C GLU A 26 -2.589 7.303 -3.260 1.00 0.00 C ATOM 357 O GLU A 26 -2.833 6.700 -4.306 1.00 0.00 O ATOM 358 CB GLU A 26 -0.082 7.680 -3.206 1.00 0.00 C ATOM 359 CG GLU A 26 1.082 7.865 -2.219 1.00 0.00 C ATOM 360 CD GLU A 26 2.239 8.685 -2.804 1.00 0.00 C ATOM 361 OE1 GLU A 26 2.037 9.879 -3.138 1.00 0.00 O ATOM 362 OE2 GLU A 26 3.391 8.187 -2.838 1.00 0.00 O ATOM 0 H GLU A 26 -0.718 5.144 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.339 7.477 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.240 7.059 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.371 8.646 -3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.713 8.358 -1.319 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.454 6.886 -1.917 1.00 0.00 H new ATOM 369 N SER A 27 -3.405 8.193 -2.707 1.00 0.00 N ATOM 370 CA SER A 27 -4.705 8.606 -3.213 1.00 0.00 C ATOM 371 C SER A 27 -4.614 9.875 -4.072 1.00 0.00 C ATOM 372 O SER A 27 -3.599 10.579 -4.075 1.00 0.00 O ATOM 373 CB SER A 27 -5.659 8.829 -2.017 1.00 0.00 C ATOM 374 OG SER A 27 -4.994 8.755 -0.761 1.00 0.00 O ATOM 0 H SER A 27 -3.160 8.673 -1.841 1.00 0.00 H new ATOM 0 HA SER A 27 -5.091 7.817 -3.858 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.135 9.805 -2.114 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.453 8.083 -2.047 1.00 0.00 H new ATOM 0 HG SER A 27 -5.176 7.886 -0.345 1.00 0.00 H new ATOM 380 N LEU A 28 -5.712 10.188 -4.769 1.00 0.00 N ATOM 381 CA LEU A 28 -5.836 11.362 -5.632 1.00 0.00 C ATOM 382 C LEU A 28 -5.786 12.648 -4.811 1.00 0.00 C ATOM 383 O LEU A 28 -5.133 13.609 -5.213 1.00 0.00 O ATOM 384 CB LEU A 28 -7.183 11.328 -6.386 1.00 0.00 C ATOM 385 CG LEU A 28 -7.209 10.350 -7.572 1.00 0.00 C ATOM 386 CD1 LEU A 28 -8.648 10.064 -8.003 1.00 0.00 C ATOM 387 CD2 LEU A 28 -6.419 10.898 -8.767 1.00 0.00 C ATOM 0 H LEU A 28 -6.557 9.617 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.005 11.343 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.973 11.056 -5.686 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.410 12.330 -6.749 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.739 9.424 -7.240 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.645 9.370 -8.843 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.196 9.623 -7.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.130 10.995 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.458 10.182 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.856 11.843 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.381 11.059 -8.474 1.00 0.00 H new ATOM 399 N GLU A 29 -6.509 12.674 -3.692 1.00 0.00 N ATOM 400 CA GLU A 29 -6.621 13.799 -2.771 1.00 0.00 C ATOM 401 C GLU A 29 -6.884 13.281 -1.357 1.00 0.00 C ATOM 402 O GLU A 29 -6.920 12.068 -1.127 1.00 0.00 O ATOM 403 CB GLU A 29 -7.767 14.715 -3.230 1.00 0.00 C ATOM 404 CG GLU A 29 -7.297 15.695 -4.299 1.00 0.00 C ATOM 405 CD GLU A 29 -8.238 16.881 -4.379 1.00 0.00 C ATOM 406 OE1 GLU A 29 -9.217 16.821 -5.159 1.00 0.00 O ATOM 407 OE2 GLU A 29 -7.997 17.882 -3.663 1.00 0.00 O ATOM 0 H GLU A 29 -7.059 11.870 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.691 14.368 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.584 14.110 -3.622 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.160 15.266 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.288 16.038 -4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.250 15.194 -5.266 1.00 0.00 H new ATOM 414 N GLU A 30 -7.044 14.195 -0.402 1.00 0.00 N ATOM 415 CA GLU A 30 -7.315 13.894 0.993 1.00 0.00 C ATOM 416 C GLU A 30 -8.604 13.068 1.129 1.00 0.00 C ATOM 417 O GLU A 30 -9.471 13.069 0.250 1.00 0.00 O ATOM 418 CB GLU A 30 -7.347 15.217 1.766 1.00 0.00 C ATOM 419 CG GLU A 30 -7.244 15.024 3.283 1.00 0.00 C ATOM 420 CD GLU A 30 -7.043 16.343 4.027 1.00 0.00 C ATOM 421 OE1 GLU A 30 -7.664 17.363 3.650 1.00 0.00 O ATOM 422 OE2 GLU A 30 -6.315 16.351 5.053 1.00 0.00 O ATOM 0 H GLU A 30 -6.986 15.196 -0.589 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.529 13.272 1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.526 15.849 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.272 15.745 1.534 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.150 14.539 3.647 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.413 14.355 3.505 1.00 0.00 H new ATOM 429 N ILE A 31 -8.706 12.351 2.246 1.00 0.00 N ATOM 430 CA ILE A 31 -9.808 11.468 2.611 1.00 0.00 C ATOM 431 C ILE A 31 -10.188 11.660 4.082 1.00 0.00 C ATOM 432 O ILE A 31 -9.487 12.340 4.838 1.00 0.00 O ATOM 433 CB ILE A 31 -9.383 10.004 2.362 1.00 0.00 C ATOM 434 CG1 ILE A 31 -8.131 9.680 3.209 1.00 0.00 C ATOM 435 CG2 ILE A 31 -9.188 9.689 0.870 1.00 0.00 C ATOM 436 CD1 ILE A 31 -7.730 8.221 3.085 1.00 0.00 C ATOM 0 H ILE A 31 -7.979 12.373 2.961 1.00 0.00 H new ATOM 0 HA ILE A 31 -10.678 11.709 2.000 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.194 9.350 2.683 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -7.303 10.313 2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -8.329 9.915 4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -8.890 8.647 0.754 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -10.123 9.860 0.337 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -8.413 10.336 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.846 8.033 3.695 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.549 7.588 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.507 7.992 2.043 1.00 0.00 H new ATOM 448 N GLN A 32 -11.250 10.983 4.512 1.00 0.00 N ATOM 449 CA GLN A 32 -11.754 11.039 5.874 1.00 0.00 C ATOM 450 C GLN A 32 -10.952 10.162 6.852 1.00 0.00 C ATOM 451 O GLN A 32 -10.527 10.636 7.909 1.00 0.00 O ATOM 452 CB GLN A 32 -13.220 10.575 5.845 1.00 0.00 C ATOM 453 CG GLN A 32 -13.992 10.868 7.139 1.00 0.00 C ATOM 454 CD GLN A 32 -15.275 10.041 7.235 1.00 0.00 C ATOM 455 OE1 GLN A 32 -15.933 9.746 6.236 1.00 0.00 O ATOM 456 NE2 GLN A 32 -15.625 9.575 8.421 1.00 0.00 N ATOM 0 H GLN A 32 -11.793 10.368 3.907 1.00 0.00 H new ATOM 0 HA GLN A 32 -11.658 12.063 6.235 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -13.728 11.062 5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -13.247 9.503 5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -13.356 10.653 7.998 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -14.239 11.929 7.182 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -15.079 9.820 9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -16.441 8.970 8.511 1.00 0.00 H new ATOM 465 N ASP A 33 -10.732 8.880 6.528 1.00 0.00 N ATOM 466 CA ASP A 33 -10.042 7.928 7.412 1.00 0.00 C ATOM 467 C ASP A 33 -9.492 6.707 6.660 1.00 0.00 C ATOM 468 O ASP A 33 -9.687 6.607 5.447 1.00 0.00 O ATOM 469 CB ASP A 33 -11.157 7.419 8.351 1.00 0.00 C ATOM 470 CG ASP A 33 -10.646 6.624 9.539 1.00 0.00 C ATOM 471 OD1 ASP A 33 -10.345 7.274 10.562 1.00 0.00 O ATOM 472 OD2 ASP A 33 -10.556 5.379 9.425 1.00 0.00 O ATOM 0 H ASP A 33 -11.029 8.472 5.642 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.197 8.412 7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.728 8.272 8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.845 6.796 7.778 1.00 0.00 H new ATOM 477 N VAL A 34 -8.788 5.780 7.331 1.00 0.00 N ATOM 478 CA VAL A 34 -8.269 4.531 6.744 1.00 0.00 C ATOM 479 C VAL A 34 -9.464 3.671 6.269 1.00 0.00 C ATOM 480 O VAL A 34 -9.323 2.817 5.395 1.00 0.00 O ATOM 481 CB VAL A 34 -7.343 3.747 7.706 1.00 0.00 C ATOM 482 CG1 VAL A 34 -5.872 4.093 7.446 1.00 0.00 C ATOM 483 CG2 VAL A 34 -7.638 3.935 9.200 1.00 0.00 C ATOM 0 H VAL A 34 -8.558 5.880 8.320 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.639 4.788 5.892 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.550 2.701 7.482 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.239 3.531 8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.613 3.834 6.419 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.717 5.161 7.601 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.935 3.344 9.787 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.534 4.988 9.462 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.655 3.606 9.414 1.00 0.00 H new ATOM 493 N SER A 35 -10.668 3.939 6.791 1.00 0.00 N ATOM 494 CA SER A 35 -11.921 3.273 6.460 1.00 0.00 C ATOM 495 C SER A 35 -12.177 3.323 4.940 1.00 0.00 C ATOM 496 O SER A 35 -12.730 2.384 4.368 1.00 0.00 O ATOM 497 CB SER A 35 -13.036 3.999 7.239 1.00 0.00 C ATOM 498 OG SER A 35 -14.141 3.172 7.550 1.00 0.00 O ATOM 0 H SER A 35 -10.794 4.668 7.494 1.00 0.00 H new ATOM 0 HA SER A 35 -11.889 2.219 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.620 4.399 8.164 1.00 0.00 H new ATOM 0 HB3 SER A 35 -13.383 4.849 6.652 1.00 0.00 H new ATOM 0 HG SER A 35 -14.809 3.691 8.044 1.00 0.00 H new ATOM 504 N CYS A 36 -11.764 4.409 4.273 1.00 0.00 N ATOM 505 CA CYS A 36 -11.938 4.607 2.838 1.00 0.00 C ATOM 506 C CYS A 36 -11.141 3.553 2.067 1.00 0.00 C ATOM 507 O CYS A 36 -11.704 2.828 1.246 1.00 0.00 O ATOM 508 CB CYS A 36 -11.521 6.030 2.432 1.00 0.00 C ATOM 509 SG CYS A 36 -12.142 7.240 3.636 1.00 0.00 S ATOM 0 H CYS A 36 -11.290 5.188 4.731 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.993 4.490 2.589 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.435 6.094 2.370 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -11.911 6.261 1.441 1.00 0.00 H new ATOM 0 HG CYS A 36 -12.161 8.421 3.094 1.00 0.00 H new ATOM 515 N ALA A 37 -9.838 3.452 2.345 1.00 0.00 N ATOM 516 CA ALA A 37 -8.953 2.493 1.712 1.00 0.00 C ATOM 517 C ALA A 37 -9.467 1.096 2.026 1.00 0.00 C ATOM 518 O ALA A 37 -9.530 0.285 1.111 1.00 0.00 O ATOM 519 CB ALA A 37 -7.506 2.683 2.172 1.00 0.00 C ATOM 0 H ALA A 37 -9.369 4.047 3.028 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.950 2.645 0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.868 1.949 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.171 3.687 1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.447 2.548 3.252 1.00 0.00 H new ATOM 525 N TRP A 38 -9.890 0.802 3.264 1.00 0.00 N ATOM 526 CA TRP A 38 -10.417 -0.522 3.598 1.00 0.00 C ATOM 527 C TRP A 38 -11.578 -0.883 2.669 1.00 0.00 C ATOM 528 O TRP A 38 -11.690 -2.048 2.275 1.00 0.00 O ATOM 529 CB TRP A 38 -10.901 -0.596 5.054 1.00 0.00 C ATOM 530 CG TRP A 38 -9.862 -0.936 6.070 1.00 0.00 C ATOM 531 CD1 TRP A 38 -9.421 -0.141 7.069 1.00 0.00 C ATOM 532 CD2 TRP A 38 -9.155 -2.199 6.229 1.00 0.00 C ATOM 533 NE1 TRP A 38 -8.493 -0.824 7.829 1.00 0.00 N ATOM 534 CE2 TRP A 38 -8.259 -2.087 7.330 1.00 0.00 C ATOM 535 CE3 TRP A 38 -9.175 -3.427 5.532 1.00 0.00 C ATOM 536 CZ2 TRP A 38 -7.394 -3.127 7.691 1.00 0.00 C ATOM 537 CZ3 TRP A 38 -8.312 -4.481 5.887 1.00 0.00 C ATOM 538 CH2 TRP A 38 -7.415 -4.322 6.956 1.00 0.00 C ATOM 0 H TRP A 38 -9.876 1.460 4.043 1.00 0.00 H new ATOM 0 HA TRP A 38 -9.600 -1.232 3.469 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -11.340 0.365 5.320 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -11.697 -1.338 5.115 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.745 0.874 7.246 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.037 -0.441 8.657 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -9.865 -3.560 4.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -6.718 -3.011 8.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -8.340 -5.411 5.338 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -6.738 -5.123 7.213 1.00 0.00 H new ATOM 549 N LYS A 39 -12.463 0.068 2.347 1.00 0.00 N ATOM 550 CA LYS A 39 -13.598 -0.173 1.460 1.00 0.00 C ATOM 551 C LYS A 39 -13.127 -0.343 0.018 1.00 0.00 C ATOM 552 O LYS A 39 -13.565 -1.298 -0.621 1.00 0.00 O ATOM 553 CB LYS A 39 -14.633 0.957 1.558 1.00 0.00 C ATOM 554 CG LYS A 39 -15.453 0.874 2.851 1.00 0.00 C ATOM 555 CD LYS A 39 -16.495 1.995 2.994 1.00 0.00 C ATOM 556 CE LYS A 39 -17.692 1.841 2.044 1.00 0.00 C ATOM 557 NZ LYS A 39 -17.514 2.532 0.749 1.00 0.00 N ATOM 0 H LYS A 39 -12.409 1.025 2.696 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.080 -1.097 1.780 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.124 1.920 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.303 0.910 0.700 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.961 -0.089 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.775 0.909 3.704 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.857 2.015 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.013 2.955 2.807 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.864 0.781 1.860 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.585 2.229 2.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.429 2.907 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.840 3.316 0.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.148 1.860 0.045 1.00 0.00 H new ATOM 571 N GLU A 40 -12.251 0.528 -0.493 1.00 0.00 N ATOM 572 CA GLU A 40 -11.761 0.427 -1.871 1.00 0.00 C ATOM 573 C GLU A 40 -10.982 -0.872 -2.067 1.00 0.00 C ATOM 574 O GLU A 40 -11.189 -1.579 -3.049 1.00 0.00 O ATOM 575 CB GLU A 40 -10.947 1.664 -2.275 1.00 0.00 C ATOM 576 CG GLU A 40 -10.688 1.673 -3.802 1.00 0.00 C ATOM 577 CD GLU A 40 -10.632 3.065 -4.449 1.00 0.00 C ATOM 578 OE1 GLU A 40 -11.175 4.035 -3.860 1.00 0.00 O ATOM 579 OE2 GLU A 40 -10.070 3.186 -5.564 1.00 0.00 O ATOM 0 H GLU A 40 -11.865 1.314 0.030 1.00 0.00 H new ATOM 0 HA GLU A 40 -12.622 0.397 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.483 2.568 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.997 1.672 -1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.746 1.161 -3.997 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.472 1.094 -4.291 1.00 0.00 H new ATOM 586 N LEU A 41 -10.118 -1.228 -1.115 1.00 0.00 N ATOM 587 CA LEU A 41 -9.327 -2.451 -1.149 1.00 0.00 C ATOM 588 C LEU A 41 -10.316 -3.612 -1.209 1.00 0.00 C ATOM 589 O LEU A 41 -10.169 -4.492 -2.052 1.00 0.00 O ATOM 590 CB LEU A 41 -8.376 -2.524 0.067 1.00 0.00 C ATOM 591 CG LEU A 41 -7.172 -1.563 -0.076 1.00 0.00 C ATOM 592 CD1 LEU A 41 -6.571 -1.147 1.270 1.00 0.00 C ATOM 593 CD2 LEU A 41 -6.046 -2.198 -0.899 1.00 0.00 C ATOM 0 H LEU A 41 -9.948 -0.661 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.675 -2.487 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.929 -2.279 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.012 -3.545 0.181 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.574 -0.682 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.731 -0.473 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.329 -0.639 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.224 -2.032 1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.215 -1.497 -0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.705 -3.109 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.416 -2.440 -1.895 1.00 0.00 H new ATOM 605 N ASN A 42 -11.369 -3.582 -0.378 1.00 0.00 N ATOM 606 CA ASN A 42 -12.391 -4.632 -0.369 1.00 0.00 C ATOM 607 C ASN A 42 -13.176 -4.703 -1.685 1.00 0.00 C ATOM 608 O ASN A 42 -13.789 -5.722 -1.995 1.00 0.00 O ATOM 609 CB ASN A 42 -13.359 -4.499 0.820 1.00 0.00 C ATOM 610 CG ASN A 42 -12.886 -5.309 2.017 1.00 0.00 C ATOM 611 OD1 ASN A 42 -13.475 -6.331 2.358 1.00 0.00 O ATOM 612 ND2 ASN A 42 -11.830 -4.883 2.691 1.00 0.00 N ATOM 0 H ASN A 42 -11.533 -2.836 0.299 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.843 -5.567 -0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.449 -3.450 1.102 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.352 -4.835 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.498 -5.405 3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.348 -4.033 2.399 1.00 0.00 H new ATOM 619 N ARG A 43 -13.196 -3.618 -2.462 1.00 0.00 N ATOM 620 CA ARG A 43 -13.881 -3.511 -3.745 1.00 0.00 C ATOM 621 C ARG A 43 -12.992 -3.942 -4.911 1.00 0.00 C ATOM 622 O ARG A 43 -13.529 -4.109 -6.005 1.00 0.00 O ATOM 623 CB ARG A 43 -14.338 -2.048 -3.942 1.00 0.00 C ATOM 624 CG ARG A 43 -15.778 -1.788 -3.473 1.00 0.00 C ATOM 625 CD ARG A 43 -16.733 -1.676 -4.666 1.00 0.00 C ATOM 626 NE ARG A 43 -16.709 -2.881 -5.513 1.00 0.00 N ATOM 627 CZ ARG A 43 -16.743 -2.910 -6.849 1.00 0.00 C ATOM 628 NH1 ARG A 43 -16.972 -1.810 -7.560 1.00 0.00 N ATOM 629 NH2 ARG A 43 -16.545 -4.053 -7.484 1.00 0.00 N ATOM 0 H ARG A 43 -12.715 -2.757 -2.201 1.00 0.00 H new ATOM 0 HA ARG A 43 -14.739 -4.183 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -13.662 -1.388 -3.398 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -14.256 -1.789 -4.998 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -16.102 -2.597 -2.818 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -15.813 -0.869 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -17.747 -1.509 -4.303 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -16.462 -0.807 -5.266 1.00 0.00 H new ATOM 0 HE ARG A 43 -16.662 -3.780 -5.034 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -17.126 -0.920 -7.087 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -16.993 -1.856 -8.579 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -16.367 -4.907 -6.954 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -16.570 -4.081 -8.503 1.00 0.00 H new ATOM 643 N LYS A 44 -11.684 -4.151 -4.715 1.00 0.00 N ATOM 644 CA LYS A 44 -10.755 -4.542 -5.781 1.00 0.00 C ATOM 645 C LYS A 44 -9.944 -5.794 -5.438 1.00 0.00 C ATOM 646 O LYS A 44 -9.098 -6.188 -6.239 1.00 0.00 O ATOM 647 CB LYS A 44 -9.817 -3.364 -6.122 1.00 0.00 C ATOM 648 CG LYS A 44 -10.497 -2.013 -6.411 1.00 0.00 C ATOM 649 CD LYS A 44 -11.360 -1.998 -7.678 1.00 0.00 C ATOM 650 CE LYS A 44 -12.181 -0.707 -7.692 1.00 0.00 C ATOM 651 NZ LYS A 44 -13.203 -0.685 -8.756 1.00 0.00 N ATOM 0 H LYS A 44 -11.237 -4.052 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.358 -4.795 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.123 -3.228 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.222 -3.641 -6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.120 -1.744 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.729 -1.245 -6.500 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.730 -2.056 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.019 -2.866 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.668 -0.582 -6.725 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.510 0.142 -7.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.704 0.226 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.744 -0.809 -9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.883 -1.457 -8.601 1.00 0.00 H new ATOM 665 N LEU A 45 -10.172 -6.447 -4.300 1.00 0.00 N ATOM 666 CA LEU A 45 -9.454 -7.649 -3.870 1.00 0.00 C ATOM 667 C LEU A 45 -10.481 -8.683 -3.395 1.00 0.00 C ATOM 668 O LEU A 45 -11.689 -8.484 -3.561 1.00 0.00 O ATOM 669 CB LEU A 45 -8.484 -7.281 -2.724 1.00 0.00 C ATOM 670 CG LEU A 45 -7.385 -6.251 -3.062 1.00 0.00 C ATOM 671 CD1 LEU A 45 -6.657 -5.878 -1.769 1.00 0.00 C ATOM 672 CD2 LEU A 45 -6.384 -6.810 -4.078 1.00 0.00 C ATOM 0 H LEU A 45 -10.881 -6.147 -3.631 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.875 -8.067 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.070 -6.894 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.001 -8.195 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.850 -5.372 -3.509 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.876 -5.150 -1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.367 -5.447 -1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.209 -6.771 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.625 -6.058 -4.292 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.907 -7.700 -3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.907 -7.070 -4.998 1.00 0.00 H new ATOM 684 N SER A 46 -10.019 -9.827 -2.879 1.00 0.00 N ATOM 685 CA SER A 46 -10.880 -10.875 -2.337 1.00 0.00 C ATOM 686 C SER A 46 -10.881 -10.673 -0.821 1.00 0.00 C ATOM 687 O SER A 46 -9.922 -10.108 -0.276 1.00 0.00 O ATOM 688 CB SER A 46 -10.378 -12.267 -2.736 1.00 0.00 C ATOM 689 OG SER A 46 -9.012 -12.466 -2.427 1.00 0.00 O ATOM 0 H SER A 46 -9.025 -10.050 -2.827 1.00 0.00 H new ATOM 0 HA SER A 46 -11.893 -10.810 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.975 -13.023 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.528 -12.410 -3.806 1.00 0.00 H new ATOM 0 HG SER A 46 -8.743 -13.368 -2.700 1.00 0.00 H new ATOM 695 N SER A 47 -11.920 -11.104 -0.102 1.00 0.00 N ATOM 696 CA SER A 47 -11.943 -10.909 1.344 1.00 0.00 C ATOM 697 C SER A 47 -10.827 -11.692 2.044 1.00 0.00 C ATOM 698 O SER A 47 -10.406 -11.324 3.138 1.00 0.00 O ATOM 699 CB SER A 47 -13.328 -11.213 1.909 1.00 0.00 C ATOM 700 OG SER A 47 -13.811 -12.482 1.502 1.00 0.00 O ATOM 0 H SER A 47 -12.736 -11.579 -0.488 1.00 0.00 H new ATOM 0 HA SER A 47 -11.739 -9.858 1.548 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.290 -11.174 2.998 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.026 -10.441 1.586 1.00 0.00 H new ATOM 0 HG SER A 47 -14.699 -12.634 1.889 1.00 0.00 H new ATOM 706 N ASN A 48 -10.327 -12.766 1.425 1.00 0.00 N ATOM 707 CA ASN A 48 -9.255 -13.550 2.016 1.00 0.00 C ATOM 708 C ASN A 48 -7.933 -12.796 1.863 1.00 0.00 C ATOM 709 O ASN A 48 -7.221 -12.625 2.847 1.00 0.00 O ATOM 710 CB ASN A 48 -9.199 -14.947 1.395 1.00 0.00 C ATOM 711 CG ASN A 48 -8.238 -15.831 2.174 1.00 0.00 C ATOM 712 OD1 ASN A 48 -8.377 -15.986 3.384 1.00 0.00 O ATOM 713 ND2 ASN A 48 -7.241 -16.412 1.539 1.00 0.00 N ATOM 0 H ASN A 48 -10.650 -13.106 0.519 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.446 -13.689 3.080 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.194 -15.392 1.394 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.879 -14.878 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -6.579 -16.994 2.053 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -7.130 -16.280 0.534 1.00 0.00 H new ATOM 720 N ALA A 49 -7.624 -12.289 0.663 1.00 0.00 N ATOM 721 CA ALA A 49 -6.386 -11.548 0.420 1.00 0.00 C ATOM 722 C ALA A 49 -6.336 -10.266 1.250 1.00 0.00 C ATOM 723 O ALA A 49 -5.316 -9.943 1.858 1.00 0.00 O ATOM 724 CB ALA A 49 -6.268 -11.196 -1.066 1.00 0.00 C ATOM 0 H ALA A 49 -8.221 -12.381 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.552 -12.185 0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.343 -10.645 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.259 -12.112 -1.657 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.117 -10.581 -1.363 1.00 0.00 H new ATOM 730 N VAL A 50 -7.444 -9.521 1.307 1.00 0.00 N ATOM 731 CA VAL A 50 -7.497 -8.277 2.070 1.00 0.00 C ATOM 732 C VAL A 50 -7.303 -8.556 3.577 1.00 0.00 C ATOM 733 O VAL A 50 -6.909 -7.662 4.331 1.00 0.00 O ATOM 734 CB VAL A 50 -8.784 -7.515 1.688 1.00 0.00 C ATOM 735 CG1 VAL A 50 -9.972 -7.872 2.575 1.00 0.00 C ATOM 736 CG2 VAL A 50 -8.631 -5.996 1.709 1.00 0.00 C ATOM 0 H VAL A 50 -8.315 -9.760 0.833 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.670 -7.614 1.817 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.972 -7.839 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.847 -7.304 2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.181 -8.938 2.491 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.738 -7.629 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.577 -5.531 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.350 -5.672 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.857 -5.698 1.001 1.00 0.00 H new ATOM 746 N SER A 51 -7.536 -9.796 4.027 1.00 0.00 N ATOM 747 CA SER A 51 -7.373 -10.197 5.413 1.00 0.00 C ATOM 748 C SER A 51 -5.880 -10.317 5.783 1.00 0.00 C ATOM 749 O SER A 51 -5.556 -10.458 6.963 1.00 0.00 O ATOM 750 CB SER A 51 -8.173 -11.475 5.671 1.00 0.00 C ATOM 751 OG SER A 51 -8.321 -11.748 7.055 1.00 0.00 O ATOM 0 H SER A 51 -7.848 -10.555 3.421 1.00 0.00 H new ATOM 0 HA SER A 51 -7.774 -9.428 6.072 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.158 -11.383 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.675 -12.316 5.188 1.00 0.00 H new ATOM 0 HG SER A 51 -7.507 -11.480 7.530 1.00 0.00 H new ATOM 757 N GLN A 52 -4.959 -10.303 4.810 1.00 0.00 N ATOM 758 CA GLN A 52 -3.518 -10.374 5.070 1.00 0.00 C ATOM 759 C GLN A 52 -2.980 -8.976 5.393 1.00 0.00 C ATOM 760 O GLN A 52 -1.908 -8.845 5.979 1.00 0.00 O ATOM 761 CB GLN A 52 -2.771 -10.870 3.823 1.00 0.00 C ATOM 762 CG GLN A 52 -3.141 -12.282 3.370 1.00 0.00 C ATOM 763 CD GLN A 52 -2.642 -13.349 4.341 1.00 0.00 C ATOM 764 OE1 GLN A 52 -1.465 -13.708 4.362 1.00 0.00 O ATOM 765 NE2 GLN A 52 -3.497 -13.874 5.194 1.00 0.00 N ATOM 0 H GLN A 52 -5.194 -10.242 3.819 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.362 -11.058 5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.964 -10.179 3.003 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.700 -10.837 4.022 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.224 -12.359 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.719 -12.467 2.382 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.474 -13.581 5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.182 -14.573 5.866 1.00 0.00 H new ATOM 774 N ILE A 53 -3.697 -7.932 4.966 1.00 0.00 N ATOM 775 CA ILE A 53 -3.322 -6.546 5.177 1.00 0.00 C ATOM 776 C ILE A 53 -3.381 -6.279 6.676 1.00 0.00 C ATOM 777 O ILE A 53 -4.428 -6.472 7.305 1.00 0.00 O ATOM 778 CB ILE A 53 -4.234 -5.620 4.346 1.00 0.00 C ATOM 779 CG1 ILE A 53 -4.055 -5.929 2.841 1.00 0.00 C ATOM 780 CG2 ILE A 53 -3.914 -4.144 4.629 1.00 0.00 C ATOM 781 CD1 ILE A 53 -5.117 -5.263 1.974 1.00 0.00 C ATOM 0 H ILE A 53 -4.572 -8.038 4.453 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.308 -6.341 4.835 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.271 -5.802 4.629 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.068 -5.595 2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -4.091 -7.008 2.689 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.569 -3.509 4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.070 -3.934 5.687 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.875 -3.940 4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.942 -5.514 0.928 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.104 -5.616 2.272 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.065 -4.182 2.101 1.00 0.00 H new ATOM 793 N THR A 54 -2.277 -5.788 7.224 1.00 0.00 N ATOM 794 CA THR A 54 -2.131 -5.479 8.634 1.00 0.00 C ATOM 795 C THR A 54 -1.492 -4.098 8.802 1.00 0.00 C ATOM 796 O THR A 54 -1.077 -3.480 7.817 1.00 0.00 O ATOM 797 CB THR A 54 -1.331 -6.638 9.250 1.00 0.00 C ATOM 798 OG1 THR A 54 -1.519 -6.722 10.642 1.00 0.00 O ATOM 799 CG2 THR A 54 0.169 -6.587 8.946 1.00 0.00 C ATOM 0 H THR A 54 -1.436 -5.589 6.681 1.00 0.00 H new ATOM 0 HA THR A 54 -3.083 -5.405 9.159 1.00 0.00 H new ATOM 0 HB THR A 54 -1.731 -7.532 8.771 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.997 -7.471 10.998 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.664 -7.437 9.415 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.323 -6.626 7.868 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.589 -5.661 9.339 1.00 0.00 H new ATOM 807 N ARG A 55 -1.441 -3.611 10.049 1.00 0.00 N ATOM 808 CA ARG A 55 -0.867 -2.318 10.454 1.00 0.00 C ATOM 809 C ARG A 55 -1.218 -1.178 9.480 1.00 0.00 C ATOM 810 O ARG A 55 -0.329 -0.448 9.033 1.00 0.00 O ATOM 811 CB ARG A 55 0.657 -2.497 10.654 1.00 0.00 C ATOM 812 CG ARG A 55 0.997 -3.466 11.804 1.00 0.00 C ATOM 813 CD ARG A 55 2.498 -3.748 11.950 1.00 0.00 C ATOM 814 NE ARG A 55 3.269 -2.541 12.284 1.00 0.00 N ATOM 815 CZ ARG A 55 4.495 -2.487 12.819 1.00 0.00 C ATOM 816 NH1 ARG A 55 5.140 -3.584 13.206 1.00 0.00 N ATOM 817 NH2 ARG A 55 5.079 -1.309 12.955 1.00 0.00 N ATOM 0 H ARG A 55 -1.816 -4.132 10.842 1.00 0.00 H new ATOM 0 HA ARG A 55 -1.313 -2.009 11.400 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.099 -2.868 9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.109 -1.526 10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.622 -3.051 12.740 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.474 -4.408 11.640 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.649 -4.498 12.726 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.877 -4.171 11.020 1.00 0.00 H new ATOM 0 HE ARG A 55 2.820 -1.647 12.086 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.701 -4.498 13.098 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.074 -3.511 13.610 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.596 -0.462 12.655 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.013 -1.247 13.360 1.00 0.00 H new ATOM 831 N MET A 56 -2.498 -1.035 9.098 1.00 0.00 N ATOM 832 CA MET A 56 -2.900 0.017 8.169 1.00 0.00 C ATOM 833 C MET A 56 -3.062 1.351 8.897 1.00 0.00 C ATOM 834 O MET A 56 -3.961 1.470 9.741 1.00 0.00 O ATOM 835 CB MET A 56 -4.162 -0.339 7.370 1.00 0.00 C ATOM 836 CG MET A 56 -4.417 0.723 6.282 1.00 0.00 C ATOM 837 SD MET A 56 -6.105 0.793 5.629 1.00 0.00 S ATOM 838 CE MET A 56 -6.191 -0.801 4.787 1.00 0.00 C ATOM 0 H MET A 56 -3.261 -1.632 9.418 1.00 0.00 H new ATOM 0 HA MET A 56 -2.096 0.115 7.439 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.046 -1.321 6.911 1.00 0.00 H new ATOM 0 HB3 MET A 56 -5.021 -0.399 8.039 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.165 1.702 6.690 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.734 0.538 5.453 1.00 0.00 H new ATOM 0 HE1 MET A 56 -7.173 -0.917 4.328 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.422 -0.847 4.016 1.00 0.00 H new ATOM 0 HE3 MET A 56 -6.030 -1.603 5.508 1.00 0.00 H new ATOM 848 N CYS A 57 -2.228 2.339 8.563 1.00 0.00 N ATOM 849 CA CYS A 57 -2.231 3.684 9.135 1.00 0.00 C ATOM 850 C CYS A 57 -2.278 4.765 8.043 1.00 0.00 C ATOM 851 O CYS A 57 -2.083 4.487 6.858 1.00 0.00 O ATOM 852 CB CYS A 57 -1.003 3.831 10.040 1.00 0.00 C ATOM 853 SG CYS A 57 -1.221 2.713 11.450 1.00 0.00 S ATOM 0 H CYS A 57 -1.502 2.216 7.857 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.132 3.825 9.731 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.093 3.584 9.493 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.900 4.861 10.381 1.00 0.00 H new ATOM 0 HG CYS A 57 -0.195 2.808 12.242 1.00 0.00 H new ATOM 859 N LEU A 58 -2.591 6.001 8.443 1.00 0.00 N ATOM 860 CA LEU A 58 -2.672 7.173 7.569 1.00 0.00 C ATOM 861 C LEU A 58 -1.264 7.752 7.417 1.00 0.00 C ATOM 862 O LEU A 58 -0.569 7.909 8.428 1.00 0.00 O ATOM 863 CB LEU A 58 -3.565 8.263 8.201 1.00 0.00 C ATOM 864 CG LEU A 58 -5.082 8.005 8.148 1.00 0.00 C ATOM 865 CD1 LEU A 58 -5.840 8.942 9.092 1.00 0.00 C ATOM 866 CD2 LEU A 58 -5.652 8.181 6.735 1.00 0.00 C ATOM 0 H LEU A 58 -2.802 6.220 9.417 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.093 6.873 6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.273 8.384 9.244 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.359 9.209 7.700 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.219 6.970 8.461 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.908 8.734 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.497 8.783 10.115 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.655 9.977 8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.725 7.988 6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.471 9.200 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.166 7.480 6.057 1.00 0.00 H new ATOM 878 N LEU A 59 -0.825 8.029 6.186 1.00 0.00 N ATOM 879 CA LEU A 59 0.495 8.610 5.946 1.00 0.00 C ATOM 880 C LEU A 59 0.476 10.056 6.439 1.00 0.00 C ATOM 881 O LEU A 59 -0.582 10.689 6.489 1.00 0.00 O ATOM 882 CB LEU A 59 0.837 8.622 4.441 1.00 0.00 C ATOM 883 CG LEU A 59 1.126 7.239 3.833 1.00 0.00 C ATOM 884 CD1 LEU A 59 1.137 7.299 2.300 1.00 0.00 C ATOM 885 CD2 LEU A 59 2.477 6.691 4.303 1.00 0.00 C ATOM 0 H LEU A 59 -1.368 7.859 5.339 1.00 0.00 H new ATOM 0 HA LEU A 59 1.240 8.012 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.008 9.076 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.707 9.260 4.286 1.00 0.00 H new ATOM 0 HG LEU A 59 0.328 6.578 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.344 6.307 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.165 7.640 1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.910 7.993 1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.649 5.713 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.271 7.373 4.001 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.473 6.596 5.389 1.00 0.00 H new ATOM 897 N LYS A 60 1.645 10.602 6.785 1.00 0.00 N ATOM 898 CA LYS A 60 1.757 11.985 7.243 1.00 0.00 C ATOM 899 C LYS A 60 1.287 12.846 6.073 1.00 0.00 C ATOM 900 O LYS A 60 1.930 12.830 5.020 1.00 0.00 O ATOM 901 CB LYS A 60 3.212 12.292 7.651 1.00 0.00 C ATOM 902 CG LYS A 60 3.430 13.582 8.466 1.00 0.00 C ATOM 903 CD LYS A 60 2.756 14.844 7.906 1.00 0.00 C ATOM 904 CE LYS A 60 3.283 16.125 8.544 1.00 0.00 C ATOM 905 NZ LYS A 60 4.438 16.645 7.795 1.00 0.00 N ATOM 0 H LYS A 60 2.533 10.100 6.755 1.00 0.00 H new ATOM 0 HA LYS A 60 1.151 12.184 8.127 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.590 11.451 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.817 12.352 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.064 13.416 9.479 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.502 13.767 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.914 14.888 6.828 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.680 14.778 8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.493 16.875 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.571 15.930 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.781 17.517 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.198 15.935 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.153 16.851 6.816 1.00 0.00 H new ATOM 919 N GLY A 61 0.187 13.577 6.242 1.00 0.00 N ATOM 920 CA GLY A 61 -0.405 14.447 5.233 1.00 0.00 C ATOM 921 C GLY A 61 -1.766 13.958 4.739 1.00 0.00 C ATOM 922 O GLY A 61 -2.449 14.715 4.051 1.00 0.00 O ATOM 0 H GLY A 61 -0.334 13.578 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.515 15.450 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.276 14.525 4.385 1.00 0.00 H new ATOM 926 N ASN A 62 -2.203 12.754 5.131 1.00 0.00 N ATOM 927 CA ASN A 62 -3.474 12.133 4.745 1.00 0.00 C ATOM 928 C ASN A 62 -3.674 12.120 3.226 1.00 0.00 C ATOM 929 O ASN A 62 -4.791 12.296 2.730 1.00 0.00 O ATOM 930 CB ASN A 62 -4.677 12.718 5.515 1.00 0.00 C ATOM 931 CG ASN A 62 -4.668 12.383 6.999 1.00 0.00 C ATOM 932 OD1 ASN A 62 -3.777 11.712 7.508 1.00 0.00 O ATOM 933 ND2 ASN A 62 -5.651 12.839 7.745 1.00 0.00 N ATOM 0 H ASN A 62 -1.655 12.161 5.754 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.417 11.087 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.683 13.801 5.395 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.599 12.343 5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.670 12.634 8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.394 13.398 7.324 1.00 0.00 H new ATOM 940 N MET A 63 -2.598 11.879 2.479 1.00 0.00 N ATOM 941 CA MET A 63 -2.560 11.801 1.020 1.00 0.00 C ATOM 942 C MET A 63 -2.300 10.347 0.574 1.00 0.00 C ATOM 943 O MET A 63 -1.855 10.088 -0.546 1.00 0.00 O ATOM 944 CB MET A 63 -1.557 12.843 0.484 1.00 0.00 C ATOM 945 CG MET A 63 -2.229 14.216 0.353 1.00 0.00 C ATOM 946 SD MET A 63 -2.826 14.669 -1.306 1.00 0.00 S ATOM 947 CE MET A 63 -3.404 13.091 -1.996 1.00 0.00 C ATOM 0 H MET A 63 -1.681 11.725 2.898 1.00 0.00 H new ATOM 0 HA MET A 63 -3.523 12.060 0.581 1.00 0.00 H new ATOM 0 HB2 MET A 63 -0.702 12.913 1.156 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.175 12.524 -0.486 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.074 14.250 1.041 1.00 0.00 H new ATOM 0 HG3 MET A 63 -1.520 14.976 0.680 1.00 0.00 H new ATOM 0 HE1 MET A 63 -3.804 13.256 -2.996 1.00 0.00 H new ATOM 0 HE2 MET A 63 -2.571 12.390 -2.049 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.185 12.679 -1.357 1.00 0.00 H new ATOM 957 N GLY A 64 -2.540 9.382 1.463 1.00 0.00 N ATOM 958 CA GLY A 64 -2.377 7.964 1.230 1.00 0.00 C ATOM 959 C GLY A 64 -2.292 7.206 2.549 1.00 0.00 C ATOM 960 O GLY A 64 -2.250 7.792 3.635 1.00 0.00 O ATOM 0 H GLY A 64 -2.868 9.588 2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.215 7.589 0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.474 7.788 0.645 1.00 0.00 H new ATOM 964 N VAL A 65 -2.254 5.883 2.457 1.00 0.00 N ATOM 965 CA VAL A 65 -2.161 4.981 3.592 1.00 0.00 C ATOM 966 C VAL A 65 -0.921 4.101 3.432 1.00 0.00 C ATOM 967 O VAL A 65 -0.279 4.056 2.377 1.00 0.00 O ATOM 968 CB VAL A 65 -3.475 4.189 3.792 1.00 0.00 C ATOM 969 CG1 VAL A 65 -4.655 5.124 4.092 1.00 0.00 C ATOM 970 CG2 VAL A 65 -3.852 3.295 2.607 1.00 0.00 C ATOM 0 H VAL A 65 -2.288 5.395 1.562 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.036 5.549 4.514 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.275 3.541 4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.562 4.534 4.227 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.450 5.688 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.792 5.815 3.260 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.784 2.774 2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.980 3.908 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.061 2.565 2.436 1.00 0.00 H new ATOM 980 N CYS A 66 -0.559 3.425 4.513 1.00 0.00 N ATOM 981 CA CYS A 66 0.569 2.520 4.612 1.00 0.00 C ATOM 982 C CYS A 66 0.061 1.271 5.317 1.00 0.00 C ATOM 983 O CYS A 66 -0.790 1.395 6.197 1.00 0.00 O ATOM 984 CB CYS A 66 1.726 3.196 5.370 1.00 0.00 C ATOM 985 SG CYS A 66 1.170 4.254 6.745 1.00 0.00 S ATOM 0 H CYS A 66 -1.075 3.500 5.390 1.00 0.00 H new ATOM 0 HA CYS A 66 0.967 2.252 3.633 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.393 2.427 5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 66 2.307 3.797 4.670 1.00 0.00 H new ATOM 0 HG CYS A 66 -0.129 4.266 6.785 1.00 0.00 H new ATOM 991 N PHE A 67 0.511 0.083 4.904 1.00 0.00 N ATOM 992 CA PHE A 67 0.132 -1.202 5.481 1.00 0.00 C ATOM 993 C PHE A 67 1.204 -2.237 5.142 1.00 0.00 C ATOM 994 O PHE A 67 2.103 -1.959 4.344 1.00 0.00 O ATOM 995 CB PHE A 67 -1.273 -1.644 5.017 1.00 0.00 C ATOM 996 CG PHE A 67 -1.550 -1.812 3.527 1.00 0.00 C ATOM 997 CD1 PHE A 67 -1.019 -2.901 2.801 1.00 0.00 C ATOM 998 CD2 PHE A 67 -2.461 -0.945 2.889 1.00 0.00 C ATOM 999 CE1 PHE A 67 -1.367 -3.097 1.449 1.00 0.00 C ATOM 1000 CE2 PHE A 67 -2.783 -1.122 1.532 1.00 0.00 C ATOM 1001 CZ PHE A 67 -2.227 -2.189 0.808 1.00 0.00 C ATOM 0 H PHE A 67 1.171 -0.010 4.132 1.00 0.00 H new ATOM 0 HA PHE A 67 0.071 -1.104 6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.493 -2.596 5.500 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.989 -0.918 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -0.341 -3.589 3.285 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.915 -0.139 3.447 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -0.973 -3.944 0.907 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.460 -0.436 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.460 -2.312 -0.239 1.00 0.00 H new ATOM 1011 N ASP A 68 1.096 -3.443 5.696 1.00 0.00 N ATOM 1012 CA ASP A 68 2.039 -4.540 5.475 1.00 0.00 C ATOM 1013 C ASP A 68 1.278 -5.768 4.994 1.00 0.00 C ATOM 1014 O ASP A 68 0.101 -5.933 5.328 1.00 0.00 O ATOM 1015 CB ASP A 68 2.804 -4.862 6.764 1.00 0.00 C ATOM 1016 CG ASP A 68 3.884 -3.830 7.050 1.00 0.00 C ATOM 1017 OD1 ASP A 68 4.989 -3.955 6.475 1.00 0.00 O ATOM 1018 OD2 ASP A 68 3.629 -2.905 7.847 1.00 0.00 O ATOM 0 H ASP A 68 0.333 -3.691 6.326 1.00 0.00 H new ATOM 0 HA ASP A 68 2.763 -4.241 4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.107 -4.901 7.601 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.257 -5.850 6.681 1.00 0.00 H new ATOM 1023 N VAL A 69 1.954 -6.612 4.210 1.00 0.00 N ATOM 1024 CA VAL A 69 1.471 -7.862 3.618 1.00 0.00 C ATOM 1025 C VAL A 69 2.660 -8.826 3.456 1.00 0.00 C ATOM 1026 O VAL A 69 3.809 -8.369 3.461 1.00 0.00 O ATOM 1027 CB VAL A 69 0.810 -7.592 2.243 1.00 0.00 C ATOM 1028 CG1 VAL A 69 -0.576 -6.964 2.407 1.00 0.00 C ATOM 1029 CG2 VAL A 69 1.656 -6.708 1.311 1.00 0.00 C ATOM 0 H VAL A 69 2.924 -6.426 3.954 1.00 0.00 H new ATOM 0 HA VAL A 69 0.721 -8.307 4.272 1.00 0.00 H new ATOM 0 HB VAL A 69 0.724 -8.572 1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.014 -6.787 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.217 -7.640 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.486 -6.018 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.128 -6.563 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.827 -5.741 1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.613 -7.193 1.120 1.00 0.00 H new ATOM 1039 N PRO A 70 2.431 -10.138 3.297 1.00 0.00 N ATOM 1040 CA PRO A 70 3.517 -11.087 3.120 1.00 0.00 C ATOM 1041 C PRO A 70 4.050 -11.026 1.681 1.00 0.00 C ATOM 1042 O PRO A 70 3.332 -10.669 0.737 1.00 0.00 O ATOM 1043 CB PRO A 70 2.906 -12.453 3.424 1.00 0.00 C ATOM 1044 CG PRO A 70 1.460 -12.286 2.978 1.00 0.00 C ATOM 1045 CD PRO A 70 1.148 -10.825 3.289 1.00 0.00 C ATOM 0 HA PRO A 70 4.364 -10.874 3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 70 3.408 -13.251 2.877 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.976 -12.700 4.483 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.342 -12.503 1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.795 -12.960 3.517 1.00 0.00 H new ATOM 0 HD2 PRO A 70 0.481 -10.399 2.539 1.00 0.00 H new ATOM 0 HD3 PRO A 70 0.647 -10.729 4.252 1.00 0.00 H new ATOM 1053 N THR A 71 5.304 -11.419 1.490 1.00 0.00 N ATOM 1054 CA THR A 71 5.987 -11.439 0.199 1.00 0.00 C ATOM 1055 C THR A 71 5.424 -12.528 -0.728 1.00 0.00 C ATOM 1056 O THR A 71 5.696 -12.546 -1.935 1.00 0.00 O ATOM 1057 CB THR A 71 7.487 -11.644 0.445 1.00 0.00 C ATOM 1058 OG1 THR A 71 7.683 -12.750 1.297 1.00 0.00 O ATOM 1059 CG2 THR A 71 8.132 -10.410 1.085 1.00 0.00 C ATOM 0 H THR A 71 5.895 -11.744 2.255 1.00 0.00 H new ATOM 0 HA THR A 71 5.822 -10.488 -0.307 1.00 0.00 H new ATOM 0 HB THR A 71 7.957 -11.817 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.906 -12.434 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.194 -10.595 1.243 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.008 -9.551 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.653 -10.204 2.042 1.00 0.00 H new ATOM 1067 N THR A 72 4.624 -13.445 -0.182 1.00 0.00 N ATOM 1068 CA THR A 72 3.990 -14.532 -0.903 1.00 0.00 C ATOM 1069 C THR A 72 2.654 -14.085 -1.514 1.00 0.00 C ATOM 1070 O THR A 72 2.131 -14.798 -2.375 1.00 0.00 O ATOM 1071 CB THR A 72 3.826 -15.728 0.050 1.00 0.00 C ATOM 1072 OG1 THR A 72 3.266 -15.319 1.283 1.00 0.00 O ATOM 1073 CG2 THR A 72 5.186 -16.363 0.348 1.00 0.00 C ATOM 0 H THR A 72 4.396 -13.444 0.812 1.00 0.00 H new ATOM 0 HA THR A 72 4.618 -14.838 -1.740 1.00 0.00 H new ATOM 0 HB THR A 72 3.167 -16.444 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 72 3.169 -16.096 1.872 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.053 -17.208 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.637 -16.710 -0.582 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.838 -15.625 0.815 1.00 0.00 H new ATOM 1081 N GLU A 73 2.109 -12.924 -1.115 1.00 0.00 N ATOM 1082 CA GLU A 73 0.851 -12.395 -1.643 1.00 0.00 C ATOM 1083 C GLU A 73 1.019 -11.003 -2.258 1.00 0.00 C ATOM 1084 O GLU A 73 0.149 -10.548 -2.999 1.00 0.00 O ATOM 1085 CB GLU A 73 -0.271 -12.488 -0.592 1.00 0.00 C ATOM 1086 CG GLU A 73 -1.539 -13.047 -1.258 1.00 0.00 C ATOM 1087 CD GLU A 73 -2.620 -13.510 -0.281 1.00 0.00 C ATOM 1088 OE1 GLU A 73 -2.302 -14.146 0.750 1.00 0.00 O ATOM 1089 OE2 GLU A 73 -3.811 -13.290 -0.584 1.00 0.00 O ATOM 0 H GLU A 73 2.537 -12.324 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 73 0.539 -13.027 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.037 -13.133 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.472 -11.504 -0.168 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.960 -12.280 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.259 -13.887 -1.894 1.00 0.00 H new ATOM 1096 N SER A 74 2.158 -10.343 -2.038 1.00 0.00 N ATOM 1097 CA SER A 74 2.456 -9.028 -2.588 1.00 0.00 C ATOM 1098 C SER A 74 2.332 -9.052 -4.119 1.00 0.00 C ATOM 1099 O SER A 74 1.844 -8.090 -4.712 1.00 0.00 O ATOM 1100 CB SER A 74 3.869 -8.632 -2.145 1.00 0.00 C ATOM 1101 OG SER A 74 4.787 -9.669 -2.439 1.00 0.00 O ATOM 0 H SER A 74 2.910 -10.719 -1.461 1.00 0.00 H new ATOM 0 HA SER A 74 1.744 -8.290 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.172 -7.715 -2.651 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.877 -8.423 -1.075 1.00 0.00 H new ATOM 0 HG SER A 74 5.702 -9.345 -2.302 1.00 0.00 H new ATOM 1107 N GLU A 75 2.739 -10.157 -4.751 1.00 0.00 N ATOM 1108 CA GLU A 75 2.701 -10.383 -6.194 1.00 0.00 C ATOM 1109 C GLU A 75 1.262 -10.468 -6.713 1.00 0.00 C ATOM 1110 O GLU A 75 1.004 -10.113 -7.866 1.00 0.00 O ATOM 1111 CB GLU A 75 3.443 -11.687 -6.523 1.00 0.00 C ATOM 1112 CG GLU A 75 4.954 -11.543 -6.301 1.00 0.00 C ATOM 1113 CD GLU A 75 5.699 -12.875 -6.377 1.00 0.00 C ATOM 1114 OE1 GLU A 75 5.362 -13.740 -7.218 1.00 0.00 O ATOM 1115 OE2 GLU A 75 6.654 -13.067 -5.588 1.00 0.00 O ATOM 0 H GLU A 75 3.122 -10.955 -4.244 1.00 0.00 H new ATOM 0 HA GLU A 75 3.186 -9.538 -6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.058 -12.494 -5.900 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.251 -11.965 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.362 -10.862 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.131 -11.089 -5.326 1.00 0.00 H new ATOM 1122 N ARG A 76 0.333 -10.986 -5.899 1.00 0.00 N ATOM 1123 CA ARG A 76 -1.073 -11.095 -6.275 1.00 0.00 C ATOM 1124 C ARG A 76 -1.667 -9.699 -6.246 1.00 0.00 C ATOM 1125 O ARG A 76 -2.303 -9.279 -7.202 1.00 0.00 O ATOM 1126 CB ARG A 76 -1.854 -12.004 -5.305 1.00 0.00 C ATOM 1127 CG ARG A 76 -1.667 -13.509 -5.537 1.00 0.00 C ATOM 1128 CD ARG A 76 -2.190 -13.886 -6.926 1.00 0.00 C ATOM 1129 NE ARG A 76 -2.643 -15.282 -7.010 1.00 0.00 N ATOM 1130 CZ ARG A 76 -3.452 -15.740 -7.973 1.00 0.00 C ATOM 1131 NH1 ARG A 76 -3.848 -14.959 -8.972 1.00 0.00 N ATOM 1132 NH2 ARG A 76 -3.910 -16.980 -7.939 1.00 0.00 N ATOM 0 H ARG A 76 0.539 -11.339 -4.965 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.145 -11.539 -7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.550 -11.768 -4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.915 -11.768 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.613 -13.772 -5.451 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.200 -14.074 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.016 -13.225 -7.189 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.403 -13.720 -7.662 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.324 -15.937 -6.296 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.535 -13.989 -9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.465 -15.329 -9.695 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.647 -17.600 -7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.526 -17.317 -8.679 1.00 0.00 H new ATOM 1146 N LEU A 77 -1.423 -8.963 -5.162 1.00 0.00 N ATOM 1147 CA LEU A 77 -1.918 -7.612 -4.962 1.00 0.00 C ATOM 1148 C LEU A 77 -1.444 -6.717 -6.101 1.00 0.00 C ATOM 1149 O LEU A 77 -2.242 -5.991 -6.686 1.00 0.00 O ATOM 1150 CB LEU A 77 -1.419 -7.105 -3.601 1.00 0.00 C ATOM 1151 CG LEU A 77 -2.063 -7.844 -2.416 1.00 0.00 C ATOM 1152 CD1 LEU A 77 -1.314 -7.543 -1.128 1.00 0.00 C ATOM 1153 CD2 LEU A 77 -3.515 -7.419 -2.216 1.00 0.00 C ATOM 0 H LEU A 77 -0.861 -9.304 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.008 -7.598 -4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.336 -7.221 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.630 -6.039 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.019 -8.908 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.784 -8.075 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.278 -7.867 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.342 -6.471 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.939 -7.961 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.557 -6.348 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.087 -7.645 -3.116 1.00 0.00 H new ATOM 1165 N GLN A 78 -0.155 -6.806 -6.444 1.00 0.00 N ATOM 1166 CA GLN A 78 0.455 -6.036 -7.522 1.00 0.00 C ATOM 1167 C GLN A 78 -0.286 -6.247 -8.849 1.00 0.00 C ATOM 1168 O GLN A 78 -0.353 -5.309 -9.644 1.00 0.00 O ATOM 1169 CB GLN A 78 1.931 -6.452 -7.655 1.00 0.00 C ATOM 1170 CG GLN A 78 2.832 -5.694 -6.668 1.00 0.00 C ATOM 1171 CD GLN A 78 4.215 -6.331 -6.522 1.00 0.00 C ATOM 1172 OE1 GLN A 78 5.076 -6.231 -7.393 1.00 0.00 O ATOM 1173 NE2 GLN A 78 4.471 -6.992 -5.410 1.00 0.00 N ATOM 0 H GLN A 78 0.501 -7.427 -5.970 1.00 0.00 H new ATOM 0 HA GLN A 78 0.390 -4.975 -7.282 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.023 -7.524 -7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.270 -6.265 -8.674 1.00 0.00 H new ATOM 0 HG2 GLN A 78 2.945 -4.663 -7.004 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.347 -5.660 -5.692 1.00 0.00 H new ATOM 0 HE21 GLN A 78 3.754 -7.073 -4.689 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.386 -7.422 -5.271 1.00 0.00 H new ATOM 1182 N ALA A 79 -0.830 -7.448 -9.079 1.00 0.00 N ATOM 1183 CA ALA A 79 -1.555 -7.800 -10.292 1.00 0.00 C ATOM 1184 C ALA A 79 -3.048 -7.465 -10.214 1.00 0.00 C ATOM 1185 O ALA A 79 -3.624 -7.046 -11.224 1.00 0.00 O ATOM 1186 CB ALA A 79 -1.358 -9.296 -10.556 1.00 0.00 C ATOM 0 H ALA A 79 -0.774 -8.214 -8.408 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.154 -7.205 -11.112 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.894 -9.579 -11.462 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.296 -9.506 -10.682 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.743 -9.868 -9.712 1.00 0.00 H new ATOM 1192 N GLU A 80 -3.677 -7.629 -9.049 1.00 0.00 N ATOM 1193 CA GLU A 80 -5.099 -7.365 -8.835 1.00 0.00 C ATOM 1194 C GLU A 80 -5.417 -5.873 -8.760 1.00 0.00 C ATOM 1195 O GLU A 80 -6.572 -5.490 -8.980 1.00 0.00 O ATOM 1196 CB GLU A 80 -5.583 -8.045 -7.539 1.00 0.00 C ATOM 1197 CG GLU A 80 -5.715 -9.565 -7.682 1.00 0.00 C ATOM 1198 CD GLU A 80 -6.379 -10.209 -6.463 1.00 0.00 C ATOM 1199 OE1 GLU A 80 -5.670 -10.596 -5.511 1.00 0.00 O ATOM 1200 OE2 GLU A 80 -7.615 -10.445 -6.475 1.00 0.00 O ATOM 0 H GLU A 80 -3.200 -7.957 -8.209 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.622 -7.777 -9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.885 -7.819 -6.733 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.548 -7.626 -7.252 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.298 -9.794 -8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.727 -10.001 -7.827 1.00 0.00 H new ATOM 1207 N TRP A 81 -4.425 -5.023 -8.476 1.00 0.00 N ATOM 1208 CA TRP A 81 -4.628 -3.590 -8.363 1.00 0.00 C ATOM 1209 C TRP A 81 -4.847 -2.919 -9.720 1.00 0.00 C ATOM 1210 O TRP A 81 -3.936 -2.346 -10.309 1.00 0.00 O ATOM 1211 CB TRP A 81 -3.526 -2.928 -7.525 1.00 0.00 C ATOM 1212 CG TRP A 81 -4.002 -1.663 -6.882 1.00 0.00 C ATOM 1213 CD1 TRP A 81 -3.625 -0.403 -7.186 1.00 0.00 C ATOM 1214 CD2 TRP A 81 -5.049 -1.537 -5.879 1.00 0.00 C ATOM 1215 NE1 TRP A 81 -4.356 0.492 -6.427 1.00 0.00 N ATOM 1216 CE2 TRP A 81 -5.273 -0.155 -5.616 1.00 0.00 C ATOM 1217 CE3 TRP A 81 -5.866 -2.468 -5.211 1.00 0.00 C ATOM 1218 CZ2 TRP A 81 -6.282 0.276 -4.733 1.00 0.00 C ATOM 1219 CZ3 TRP A 81 -6.879 -2.049 -4.338 1.00 0.00 C ATOM 1220 CH2 TRP A 81 -7.091 -0.682 -4.095 1.00 0.00 C ATOM 0 H TRP A 81 -3.461 -5.317 -8.319 1.00 0.00 H new ATOM 0 HA TRP A 81 -5.559 -3.438 -7.817 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -3.188 -3.622 -6.756 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -2.667 -2.712 -8.160 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -2.869 -0.136 -7.910 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -4.235 1.504 -6.460 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -5.710 -3.524 -5.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -6.433 1.329 -4.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -7.502 -2.783 -3.848 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -7.873 -0.367 -3.420 1.00 0.00 H new ATOM 1231 N HIS A 82 -6.078 -2.996 -10.205 1.00 0.00 N ATOM 1232 CA HIS A 82 -6.591 -2.437 -11.444 1.00 0.00 C ATOM 1233 C HIS A 82 -7.984 -1.911 -11.108 1.00 0.00 C ATOM 1234 O HIS A 82 -8.601 -2.380 -10.142 1.00 0.00 O ATOM 1235 CB HIS A 82 -6.696 -3.516 -12.534 1.00 0.00 C ATOM 1236 CG HIS A 82 -5.391 -3.867 -13.200 1.00 0.00 C ATOM 1237 ND1 HIS A 82 -4.445 -4.750 -12.733 1.00 0.00 N ATOM 1238 CD2 HIS A 82 -4.957 -3.400 -14.412 1.00 0.00 C ATOM 1239 CE1 HIS A 82 -3.457 -4.795 -13.635 1.00 0.00 C ATOM 1240 NE2 HIS A 82 -3.732 -4.013 -14.691 1.00 0.00 N ATOM 0 H HIS A 82 -6.806 -3.496 -9.695 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.932 -1.658 -11.826 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.118 -4.419 -12.093 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -7.397 -3.176 -13.296 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -4.489 -5.274 -11.859 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -5.469 -2.686 -15.040 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -2.557 -5.383 -13.527 1.00 0.00 H new ATOM 1248 N ASP A 83 -8.503 -0.998 -11.933 1.00 0.00 N ATOM 1249 CA ASP A 83 -9.820 -0.369 -11.781 1.00 0.00 C ATOM 1250 C ASP A 83 -9.938 0.465 -10.492 1.00 0.00 C ATOM 1251 O ASP A 83 -11.037 0.815 -10.070 1.00 0.00 O ATOM 1252 CB ASP A 83 -10.927 -1.433 -11.914 1.00 0.00 C ATOM 1253 CG ASP A 83 -12.283 -0.824 -12.255 1.00 0.00 C ATOM 1254 OD1 ASP A 83 -12.458 -0.340 -13.394 1.00 0.00 O ATOM 1255 OD2 ASP A 83 -13.205 -0.924 -11.415 1.00 0.00 O ATOM 0 H ASP A 83 -8.000 -0.664 -12.755 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.948 0.352 -12.589 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -10.648 -2.148 -12.688 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.006 -1.989 -10.980 1.00 0.00 H new ATOM 1260 N SER A 84 -8.818 0.756 -9.830 1.00 0.00 N ATOM 1261 CA SER A 84 -8.684 1.521 -8.600 1.00 0.00 C ATOM 1262 C SER A 84 -8.239 2.954 -8.915 1.00 0.00 C ATOM 1263 O SER A 84 -7.681 3.211 -9.981 1.00 0.00 O ATOM 1264 CB SER A 84 -7.633 0.804 -7.738 1.00 0.00 C ATOM 1265 OG SER A 84 -6.551 0.315 -8.522 1.00 0.00 O ATOM 0 H SER A 84 -7.912 0.435 -10.171 1.00 0.00 H new ATOM 0 HA SER A 84 -9.635 1.583 -8.071 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.253 1.491 -6.982 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.102 -0.025 -7.208 1.00 0.00 H new ATOM 0 HG SER A 84 -5.772 0.164 -7.947 1.00 0.00 H new ATOM 1271 N ASP A 85 -8.384 3.875 -7.957 1.00 0.00 N ATOM 1272 CA ASP A 85 -8.002 5.288 -8.120 1.00 0.00 C ATOM 1273 C ASP A 85 -6.775 5.654 -7.282 1.00 0.00 C ATOM 1274 O ASP A 85 -6.509 6.833 -7.044 1.00 0.00 O ATOM 1275 CB ASP A 85 -9.201 6.197 -7.791 1.00 0.00 C ATOM 1276 CG ASP A 85 -10.126 6.334 -8.990 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -9.732 6.984 -9.991 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -11.233 5.756 -8.939 1.00 0.00 O ATOM 0 H ASP A 85 -8.773 3.663 -7.038 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.720 5.443 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -9.753 5.785 -6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.844 7.181 -7.489 1.00 0.00 H new ATOM 1283 N TRP A 86 -6.033 4.664 -6.783 1.00 0.00 N ATOM 1284 CA TRP A 86 -4.854 4.875 -5.945 1.00 0.00 C ATOM 1285 C TRP A 86 -3.661 4.136 -6.549 1.00 0.00 C ATOM 1286 O TRP A 86 -3.861 3.186 -7.317 1.00 0.00 O ATOM 1287 CB TRP A 86 -5.129 4.365 -4.518 1.00 0.00 C ATOM 1288 CG TRP A 86 -6.383 4.776 -3.787 1.00 0.00 C ATOM 1289 CD1 TRP A 86 -7.647 4.641 -4.246 1.00 0.00 C ATOM 1290 CD2 TRP A 86 -6.536 5.214 -2.396 1.00 0.00 C ATOM 1291 NE1 TRP A 86 -8.554 5.020 -3.288 1.00 0.00 N ATOM 1292 CE2 TRP A 86 -7.931 5.323 -2.104 1.00 0.00 C ATOM 1293 CE3 TRP A 86 -5.650 5.493 -1.334 1.00 0.00 C ATOM 1294 CZ2 TRP A 86 -8.421 5.652 -0.836 1.00 0.00 C ATOM 1295 CZ3 TRP A 86 -6.128 5.823 -0.051 1.00 0.00 C ATOM 1296 CH2 TRP A 86 -7.509 5.894 0.199 1.00 0.00 C ATOM 0 H TRP A 86 -6.238 3.679 -6.953 1.00 0.00 H new ATOM 0 HA TRP A 86 -4.627 5.940 -5.898 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -5.123 3.276 -4.559 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -4.283 4.666 -3.900 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -7.908 4.284 -5.231 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -9.562 5.070 -3.437 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -4.585 5.453 -1.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -9.484 5.718 -0.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -5.428 6.023 0.747 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -7.867 6.135 1.189 1.00 0.00 H new ATOM 1307 N ILE A 87 -2.437 4.522 -6.188 1.00 0.00 N ATOM 1308 CA ILE A 87 -1.219 3.897 -6.687 1.00 0.00 C ATOM 1309 C ILE A 87 -0.716 2.963 -5.602 1.00 0.00 C ATOM 1310 O ILE A 87 -0.523 3.402 -4.470 1.00 0.00 O ATOM 1311 CB ILE A 87 -0.129 4.939 -7.035 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -0.610 6.073 -7.962 1.00 0.00 C ATOM 1313 CG2 ILE A 87 1.045 4.216 -7.720 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -1.323 7.207 -7.225 1.00 0.00 C ATOM 0 H ILE A 87 -2.265 5.286 -5.534 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.440 3.358 -7.608 1.00 0.00 H new ATOM 0 HB ILE A 87 0.162 5.406 -6.094 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.247 6.482 -8.497 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.284 5.657 -8.711 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.821 4.939 -7.971 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.454 3.465 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.692 3.731 -8.631 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.633 7.968 -7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.200 6.813 -6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.645 7.650 -6.495 1.00 0.00 H new ATOM 1326 N LEU A 88 -0.444 1.707 -5.955 1.00 0.00 N ATOM 1327 CA LEU A 88 0.053 0.694 -5.030 1.00 0.00 C ATOM 1328 C LEU A 88 1.550 0.589 -5.287 1.00 0.00 C ATOM 1329 O LEU A 88 1.949 0.197 -6.386 1.00 0.00 O ATOM 1330 CB LEU A 88 -0.670 -0.640 -5.281 1.00 0.00 C ATOM 1331 CG LEU A 88 -0.174 -1.790 -4.381 1.00 0.00 C ATOM 1332 CD1 LEU A 88 -0.594 -1.589 -2.918 1.00 0.00 C ATOM 1333 CD2 LEU A 88 -0.745 -3.116 -4.893 1.00 0.00 C ATOM 0 H LEU A 88 -0.565 1.361 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.133 0.955 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.739 -0.500 -5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.538 -0.924 -6.325 1.00 0.00 H new ATOM 0 HG LEU A 88 0.915 -1.802 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.226 -2.420 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.174 -0.656 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.681 -1.549 -2.854 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.396 -3.931 -4.259 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.834 -3.077 -4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.411 -3.285 -5.917 1.00 0.00 H new ATOM 1345 N SER A 89 2.369 0.935 -4.295 1.00 0.00 N ATOM 1346 CA SER A 89 3.826 0.907 -4.403 1.00 0.00 C ATOM 1347 C SER A 89 4.451 0.170 -3.220 1.00 0.00 C ATOM 1348 O SER A 89 3.826 0.026 -2.165 1.00 0.00 O ATOM 1349 CB SER A 89 4.351 2.349 -4.476 1.00 0.00 C ATOM 1350 OG SER A 89 3.585 3.133 -5.374 1.00 0.00 O ATOM 0 H SER A 89 2.035 1.246 -3.383 1.00 0.00 H new ATOM 0 HA SER A 89 4.105 0.369 -5.309 1.00 0.00 H new ATOM 0 HB2 SER A 89 4.323 2.799 -3.483 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.393 2.343 -4.794 1.00 0.00 H new ATOM 0 HG SER A 89 3.942 4.045 -5.398 1.00 0.00 H new ATOM 1356 N VAL A 90 5.701 -0.256 -3.376 1.00 0.00 N ATOM 1357 CA VAL A 90 6.482 -0.980 -2.387 1.00 0.00 C ATOM 1358 C VAL A 90 7.833 -0.260 -2.264 1.00 0.00 C ATOM 1359 O VAL A 90 8.727 -0.495 -3.080 1.00 0.00 O ATOM 1360 CB VAL A 90 6.552 -2.487 -2.739 1.00 0.00 C ATOM 1361 CG1 VAL A 90 6.766 -2.810 -4.225 1.00 0.00 C ATOM 1362 CG2 VAL A 90 7.605 -3.218 -1.894 1.00 0.00 C ATOM 0 H VAL A 90 6.219 -0.096 -4.240 1.00 0.00 H new ATOM 0 HA VAL A 90 6.020 -0.973 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 90 5.555 -2.853 -2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.800 -3.891 -4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.944 -2.396 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.706 -2.372 -4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 90 7.625 -4.272 -2.170 1.00 0.00 H new ATOM 0 HG22 VAL A 90 8.586 -2.778 -2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 90 7.353 -3.124 -0.838 1.00 0.00 H new ATOM 1372 N PRO A 91 8.000 0.661 -1.299 1.00 0.00 N ATOM 1373 CA PRO A 91 9.259 1.368 -1.114 1.00 0.00 C ATOM 1374 C PRO A 91 10.341 0.426 -0.555 1.00 0.00 C ATOM 1375 O PRO A 91 10.074 -0.741 -0.255 1.00 0.00 O ATOM 1376 CB PRO A 91 8.938 2.547 -0.187 1.00 0.00 C ATOM 1377 CG PRO A 91 7.644 2.164 0.530 1.00 0.00 C ATOM 1378 CD PRO A 91 7.024 1.035 -0.292 1.00 0.00 C ATOM 0 HA PRO A 91 9.674 1.735 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.745 2.717 0.525 1.00 0.00 H new ATOM 0 HB3 PRO A 91 8.814 3.469 -0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 91 7.845 1.838 1.550 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.967 3.016 0.595 1.00 0.00 H new ATOM 0 HD2 PRO A 91 6.780 0.184 0.344 1.00 0.00 H new ATOM 0 HD3 PRO A 91 6.094 1.362 -0.758 1.00 0.00 H new ATOM 1386 N ALA A 92 11.543 0.968 -0.340 1.00 0.00 N ATOM 1387 CA ALA A 92 12.740 0.302 0.170 1.00 0.00 C ATOM 1388 C ALA A 92 13.027 -0.965 -0.621 1.00 0.00 C ATOM 1389 O ALA A 92 13.354 -0.838 -1.821 1.00 0.00 O ATOM 1390 CB ALA A 92 12.658 0.075 1.685 1.00 0.00 C ATOM 0 H ALA A 92 11.715 1.955 -0.532 1.00 0.00 H new ATOM 0 HA ALA A 92 13.596 0.960 0.022 1.00 0.00 H new ATOM 0 HB1 ALA A 92 13.565 -0.422 2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.556 1.035 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.794 -0.549 1.913 1.00 0.00 H new TER 1396 ALA A 92