USER MOD reduce.3.24.130724 H: found=0, std=0, add=757, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 751 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+ 180:sc= 0 (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 40:sc= 1.27 USER MOD Single : A 8 ASN : amide:sc= 0.0819 X(o=0.082,f=0) USER MOD Single : A 9 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.2!) USER MOD Single : A 10 ASN : amide:sc=-0.00376 X(o=-0.0038,f=-0.25) USER MOD Single : A 11 GLN : amide:sc=-0.00856 X(o=-0.0086,f=-0.0057) USER MOD Single : A 12 THR OG1 : rot 40:sc= 0.732 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 14 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.0041) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.548 K(o=-0.55,f=-1.9) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.859 K(o=-0.86,f=0) USER MOD Single : A 29 GLN : amide:sc=-0.00888 X(o=-0.0089,f=-0.013) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.851 X(o=-0.85,f=-0.83) USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= -0.0743 (180deg=-0.462) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0524 X(o=-0.052,f=-0.05) USER MOD Single : A 50 THR OG1 : rot -78:sc= 1.17! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.73) USER MOD Single : A 54 GLN : amide:sc=-0.00449 X(o=-0.0045,f=-0.13) USER MOD Single : A 57 CYS SG : rot 91:sc= -0.0761 USER MOD Single : A 62 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.00036) USER MOD Single : A 64 CYS SG : rot 150:sc= -1.34 USER MOD Single : A 65 ASN : amide:sc= -0.917 K(o=-0.92,f=0.76) USER MOD Single : A 69 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.24) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 ASN : amide:sc= -1.4! C(o=-1.4!,f=-2.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -155:sc= -0.0347 (180deg=-0.265) USER MOD Single : A 99 SER OG : rot 11:sc= 0.288 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.419 8.485 -4.025 1.00 0.00 N ATOM 2 CA GLY A 1 12.509 9.020 -3.027 1.00 0.00 C ATOM 3 C GLY A 1 12.890 8.543 -1.625 1.00 0.00 C ATOM 4 O GLY A 1 12.513 7.447 -1.214 1.00 0.00 O ATOM 0 H1 GLY A 1 13.139 8.824 -4.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.387 8.802 -3.817 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.383 7.446 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.526 10.109 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.490 8.710 -3.256 1.00 0.00 H new ATOM 8 N SER A 2 13.635 9.389 -0.929 1.00 0.00 N ATOM 9 CA SER A 2 14.072 9.068 0.419 1.00 0.00 C ATOM 10 C SER A 2 14.506 10.342 1.147 1.00 0.00 C ATOM 11 O SER A 2 15.698 10.633 1.239 1.00 0.00 O ATOM 12 CB SER A 2 15.216 8.052 0.400 1.00 0.00 C ATOM 13 OG SER A 2 14.981 6.966 1.292 1.00 0.00 O ATOM 0 H SER A 2 13.947 10.297 -1.274 1.00 0.00 H new ATOM 0 HA SER A 2 13.233 8.621 0.952 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.343 7.668 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.147 8.549 0.672 1.00 0.00 H new ATOM 0 HG SER A 2 15.733 6.339 1.249 1.00 0.00 H new ATOM 19 N SER A 3 13.516 11.068 1.644 1.00 0.00 N ATOM 20 CA SER A 3 13.780 12.304 2.360 1.00 0.00 C ATOM 21 C SER A 3 12.638 12.599 3.335 1.00 0.00 C ATOM 22 O SER A 3 11.553 12.033 3.214 1.00 0.00 O ATOM 23 CB SER A 3 13.966 13.473 1.391 1.00 0.00 C ATOM 24 OG SER A 3 15.297 13.981 1.416 1.00 0.00 O ATOM 0 H SER A 3 12.529 10.824 1.565 1.00 0.00 H new ATOM 0 HA SER A 3 14.706 12.182 2.922 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.721 13.148 0.380 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.269 14.271 1.647 1.00 0.00 H new ATOM 0 HG SER A 3 15.375 14.725 0.783 1.00 0.00 H new ATOM 30 N GLY A 4 12.922 13.484 4.279 1.00 0.00 N ATOM 31 CA GLY A 4 11.933 13.861 5.274 1.00 0.00 C ATOM 32 C GLY A 4 11.730 15.377 5.299 1.00 0.00 C ATOM 33 O GLY A 4 12.202 16.085 4.411 1.00 0.00 O ATOM 0 H GLY A 4 13.824 13.951 4.376 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.986 13.367 5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.252 13.517 6.258 1.00 0.00 H new ATOM 37 N SER A 5 11.027 15.831 6.326 1.00 0.00 N ATOM 38 CA SER A 5 10.756 17.250 6.478 1.00 0.00 C ATOM 39 C SER A 5 9.837 17.731 5.353 1.00 0.00 C ATOM 40 O SER A 5 10.261 17.841 4.204 1.00 0.00 O ATOM 41 CB SER A 5 12.053 18.061 6.486 1.00 0.00 C ATOM 42 OG SER A 5 13.020 17.513 7.379 1.00 0.00 O ATOM 0 H SER A 5 10.637 15.241 7.061 1.00 0.00 H new ATOM 0 HA SER A 5 10.258 17.402 7.436 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.467 18.093 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.836 19.090 6.774 1.00 0.00 H new ATOM 0 HG SER A 5 13.834 18.058 7.354 1.00 0.00 H new ATOM 48 N SER A 6 8.594 18.005 5.724 1.00 0.00 N ATOM 49 CA SER A 6 7.612 18.472 4.760 1.00 0.00 C ATOM 50 C SER A 6 6.354 18.952 5.487 1.00 0.00 C ATOM 51 O SER A 6 6.220 18.764 6.695 1.00 0.00 O ATOM 52 CB SER A 6 7.258 17.372 3.757 1.00 0.00 C ATOM 53 OG SER A 6 8.156 17.349 2.651 1.00 0.00 O ATOM 0 H SER A 6 8.245 17.913 6.678 1.00 0.00 H new ATOM 0 HA SER A 6 8.045 19.305 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.276 16.404 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.241 17.525 3.395 1.00 0.00 H new ATOM 0 HG SER A 6 9.068 17.517 2.967 1.00 0.00 H new ATOM 59 N GLY A 7 5.463 19.564 4.720 1.00 0.00 N ATOM 60 CA GLY A 7 4.221 20.072 5.275 1.00 0.00 C ATOM 61 C GLY A 7 3.098 20.031 4.236 1.00 0.00 C ATOM 62 O GLY A 7 3.344 19.757 3.062 1.00 0.00 O ATOM 0 H GLY A 7 5.577 19.719 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.938 19.479 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.365 21.096 5.620 1.00 0.00 H new ATOM 66 N ASN A 8 1.890 20.308 4.705 1.00 0.00 N ATOM 67 CA ASN A 8 0.730 20.306 3.832 1.00 0.00 C ATOM 68 C ASN A 8 0.544 18.907 3.240 1.00 0.00 C ATOM 69 O ASN A 8 1.476 18.105 3.231 1.00 0.00 O ATOM 70 CB ASN A 8 0.911 21.289 2.673 1.00 0.00 C ATOM 71 CG ASN A 8 1.031 22.725 3.186 1.00 0.00 C ATOM 72 OD1 ASN A 8 2.080 23.346 3.130 1.00 0.00 O ATOM 73 ND2 ASN A 8 -0.098 23.217 3.688 1.00 0.00 N ATOM 0 H ASN A 8 1.690 20.535 5.679 1.00 0.00 H new ATOM 0 HA ASN A 8 -0.137 20.601 4.423 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.803 21.026 2.105 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.064 21.212 1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.121 24.168 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.941 22.643 3.705 1.00 0.00 H new ATOM 80 N GLN A 9 -0.666 18.658 2.761 1.00 0.00 N ATOM 81 CA GLN A 9 -0.985 17.370 2.169 1.00 0.00 C ATOM 82 C GLN A 9 -2.428 17.363 1.660 1.00 0.00 C ATOM 83 O GLN A 9 -3.271 16.636 2.183 1.00 0.00 O ATOM 84 CB GLN A 9 -0.750 16.235 3.167 1.00 0.00 C ATOM 85 CG GLN A 9 -1.716 16.335 4.349 1.00 0.00 C ATOM 86 CD GLN A 9 -0.955 16.444 5.672 1.00 0.00 C ATOM 87 OE1 GLN A 9 0.259 16.338 5.729 1.00 0.00 O ATOM 88 NE2 GLN A 9 -1.733 16.662 6.728 1.00 0.00 N ATOM 0 H GLN A 9 -1.437 19.326 2.771 1.00 0.00 H new ATOM 0 HA GLN A 9 -0.320 17.207 1.321 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.879 15.275 2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.278 16.271 3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.361 17.205 4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -2.364 15.458 4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.743 16.740 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.320 16.751 7.656 1.00 0.00 H new ATOM 97 N ASN A 10 -2.669 18.182 0.646 1.00 0.00 N ATOM 98 CA ASN A 10 -3.995 18.279 0.061 1.00 0.00 C ATOM 99 C ASN A 10 -3.867 18.524 -1.444 1.00 0.00 C ATOM 100 O ASN A 10 -3.798 19.669 -1.886 1.00 0.00 O ATOM 101 CB ASN A 10 -4.779 19.446 0.665 1.00 0.00 C ATOM 102 CG ASN A 10 -6.169 19.557 0.035 1.00 0.00 C ATOM 103 OD1 ASN A 10 -6.833 18.572 -0.244 1.00 0.00 O ATOM 104 ND2 ASN A 10 -6.571 20.808 -0.172 1.00 0.00 N ATOM 0 H ASN A 10 -1.968 18.784 0.215 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.522 17.347 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.874 19.306 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -4.231 20.375 0.511 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.485 20.988 -0.588 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.965 21.587 0.085 1.00 0.00 H new ATOM 111 N GLN A 11 -3.840 17.428 -2.189 1.00 0.00 N ATOM 112 CA GLN A 11 -3.722 17.509 -3.634 1.00 0.00 C ATOM 113 C GLN A 11 -3.792 16.111 -4.252 1.00 0.00 C ATOM 114 O GLN A 11 -3.522 15.117 -3.580 1.00 0.00 O ATOM 115 CB GLN A 11 -2.431 18.223 -4.040 1.00 0.00 C ATOM 116 CG GLN A 11 -2.663 19.131 -5.249 1.00 0.00 C ATOM 117 CD GLN A 11 -1.544 18.969 -6.279 1.00 0.00 C ATOM 118 OE1 GLN A 11 -1.354 17.918 -6.869 1.00 0.00 O ATOM 119 NE2 GLN A 11 -0.814 20.066 -6.462 1.00 0.00 N ATOM 0 H GLN A 11 -3.898 16.480 -1.818 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.558 18.096 -4.014 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.060 18.814 -3.203 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.663 17.487 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.622 18.893 -5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.715 20.170 -4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.026 20.913 -5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.042 20.060 -7.129 1.00 0.00 H new ATOM 128 N THR A 12 -4.157 16.079 -5.525 1.00 0.00 N ATOM 129 CA THR A 12 -4.267 14.819 -6.241 1.00 0.00 C ATOM 130 C THR A 12 -3.269 14.776 -7.400 1.00 0.00 C ATOM 131 O THR A 12 -3.446 15.466 -8.402 1.00 0.00 O ATOM 132 CB THR A 12 -5.721 14.652 -6.685 1.00 0.00 C ATOM 133 OG1 THR A 12 -5.985 15.821 -7.456 1.00 0.00 O ATOM 134 CG2 THR A 12 -6.705 14.747 -5.517 1.00 0.00 C ATOM 0 H THR A 12 -4.380 16.905 -6.079 1.00 0.00 H new ATOM 0 HA THR A 12 -4.010 13.976 -5.600 1.00 0.00 H new ATOM 0 HB THR A 12 -5.840 13.689 -7.183 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.205 16.030 -8.011 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.722 14.622 -5.887 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.484 13.965 -4.791 1.00 0.00 H new ATOM 0 HG23 THR A 12 -6.610 15.722 -5.040 1.00 0.00 H new ATOM 142 N GLN A 13 -2.241 13.958 -7.224 1.00 0.00 N ATOM 143 CA GLN A 13 -1.215 13.815 -8.242 1.00 0.00 C ATOM 144 C GLN A 13 -1.837 13.351 -9.561 1.00 0.00 C ATOM 145 O GLN A 13 -2.605 12.391 -9.585 1.00 0.00 O ATOM 146 CB GLN A 13 -0.118 12.852 -7.784 1.00 0.00 C ATOM 147 CG GLN A 13 1.054 12.848 -8.767 1.00 0.00 C ATOM 148 CD GLN A 13 2.385 13.030 -8.035 1.00 0.00 C ATOM 149 OE1 GLN A 13 2.590 13.975 -7.291 1.00 0.00 O ATOM 150 NE2 GLN A 13 3.276 12.075 -8.286 1.00 0.00 N ATOM 0 H GLN A 13 -2.097 13.387 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.753 14.789 -8.404 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.234 13.141 -6.794 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.527 11.845 -7.696 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.065 11.909 -9.321 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.924 13.647 -9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.040 11.311 -8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 13 4.195 12.106 -7.845 1.00 0.00 H new ATOM 159 N HIS A 14 -1.481 14.054 -10.626 1.00 0.00 N ATOM 160 CA HIS A 14 -1.994 13.726 -11.945 1.00 0.00 C ATOM 161 C HIS A 14 -0.934 14.043 -13.002 1.00 0.00 C ATOM 162 O HIS A 14 -0.687 15.208 -13.308 1.00 0.00 O ATOM 163 CB HIS A 14 -3.322 14.440 -12.204 1.00 0.00 C ATOM 164 CG HIS A 14 -4.081 13.911 -13.398 1.00 0.00 C ATOM 165 ND1 HIS A 14 -5.422 13.574 -13.344 1.00 0.00 N ATOM 166 CD2 HIS A 14 -3.673 13.667 -14.676 1.00 0.00 C ATOM 167 CE1 HIS A 14 -5.794 13.146 -14.541 1.00 0.00 C ATOM 168 NE2 HIS A 14 -4.709 13.203 -15.366 1.00 0.00 N ATOM 0 H HIS A 14 -0.843 14.850 -10.602 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.205 12.658 -12.002 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -3.950 14.350 -11.318 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.129 15.503 -12.351 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.677 13.824 -15.062 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.783 12.811 -14.816 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -4.695 12.934 -16.350 1.00 0.00 H new ATOM 176 N LYS A 15 -0.336 12.985 -13.529 1.00 0.00 N ATOM 177 CA LYS A 15 0.692 13.136 -14.545 1.00 0.00 C ATOM 178 C LYS A 15 0.842 11.820 -15.312 1.00 0.00 C ATOM 179 O LYS A 15 0.504 11.743 -16.492 1.00 0.00 O ATOM 180 CB LYS A 15 1.996 13.634 -13.919 1.00 0.00 C ATOM 181 CG LYS A 15 2.353 15.030 -14.434 1.00 0.00 C ATOM 182 CD LYS A 15 3.372 14.951 -15.572 1.00 0.00 C ATOM 183 CE LYS A 15 3.681 16.341 -16.130 1.00 0.00 C ATOM 184 NZ LYS A 15 4.445 16.235 -17.392 1.00 0.00 N ATOM 0 H LYS A 15 -0.543 12.020 -13.272 1.00 0.00 H new ATOM 0 HA LYS A 15 0.402 13.897 -15.269 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.897 13.657 -12.834 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.803 12.939 -14.151 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.452 15.534 -14.783 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.759 15.629 -13.619 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.290 14.488 -15.211 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.985 14.314 -16.367 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.752 16.884 -16.305 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.252 16.914 -15.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.646 17.188 -17.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 5.340 15.736 -17.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.887 15.707 -18.093 1.00 0.00 H new ATOM 198 N GLN A 16 1.349 10.817 -14.610 1.00 0.00 N ATOM 199 CA GLN A 16 1.548 9.509 -15.209 1.00 0.00 C ATOM 200 C GLN A 16 1.049 8.412 -14.267 1.00 0.00 C ATOM 201 O GLN A 16 1.648 8.167 -13.221 1.00 0.00 O ATOM 202 CB GLN A 16 3.018 9.291 -15.575 1.00 0.00 C ATOM 203 CG GLN A 16 3.322 9.838 -16.971 1.00 0.00 C ATOM 204 CD GLN A 16 4.783 10.279 -17.080 1.00 0.00 C ATOM 205 OE1 GLN A 16 5.115 11.449 -16.975 1.00 0.00 O ATOM 206 NE2 GLN A 16 5.635 9.281 -17.295 1.00 0.00 N ATOM 0 H GLN A 16 1.628 10.884 -13.631 1.00 0.00 H new ATOM 0 HA GLN A 16 0.967 9.461 -16.130 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.656 9.783 -14.841 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.252 8.227 -15.539 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.112 9.073 -17.719 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.666 10.682 -17.186 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.290 8.324 -17.373 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.633 9.472 -17.382 1.00 0.00 H new ATOM 215 N ARG A 17 -0.044 7.781 -14.672 1.00 0.00 N ATOM 216 CA ARG A 17 -0.630 6.715 -13.877 1.00 0.00 C ATOM 217 C ARG A 17 -1.046 7.245 -12.503 1.00 0.00 C ATOM 218 O ARG A 17 -0.196 7.557 -11.671 1.00 0.00 O ATOM 219 CB ARG A 17 0.354 5.559 -13.693 1.00 0.00 C ATOM 220 CG ARG A 17 0.472 4.730 -14.974 1.00 0.00 C ATOM 221 CD ARG A 17 1.552 3.655 -14.834 1.00 0.00 C ATOM 222 NE ARG A 17 2.290 3.511 -16.109 1.00 0.00 N ATOM 223 CZ ARG A 17 2.980 2.416 -16.458 1.00 0.00 C ATOM 224 NH1 ARG A 17 3.032 1.365 -15.629 1.00 0.00 N ATOM 225 NH2 ARG A 17 3.619 2.374 -17.635 1.00 0.00 N ATOM 0 H ARG A 17 -0.539 7.988 -15.540 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.507 6.348 -14.410 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.333 5.951 -13.418 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.023 4.922 -12.873 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.486 4.261 -15.197 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.711 5.383 -15.813 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.241 3.922 -14.033 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.097 2.704 -14.558 1.00 0.00 H new ATOM 0 HE ARG A 17 2.272 4.294 -16.763 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.547 1.398 -14.733 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.557 0.532 -15.894 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.580 3.175 -18.265 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.144 1.541 -17.901 1.00 0.00 H new ATOM 239 N PRO A 18 -2.388 7.334 -12.304 1.00 0.00 N ATOM 240 CA PRO A 18 -2.927 7.821 -11.045 1.00 0.00 C ATOM 241 C PRO A 18 -2.799 6.763 -9.948 1.00 0.00 C ATOM 242 O PRO A 18 -2.681 5.573 -10.238 1.00 0.00 O ATOM 243 CB PRO A 18 -4.370 8.187 -11.351 1.00 0.00 C ATOM 244 CG PRO A 18 -4.721 7.462 -12.640 1.00 0.00 C ATOM 245 CD PRO A 18 -3.425 6.974 -13.267 1.00 0.00 C ATOM 0 HA PRO A 18 -2.384 8.684 -10.660 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.031 7.882 -10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -4.483 9.265 -11.466 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.387 6.623 -12.437 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.248 8.129 -13.322 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.449 5.898 -13.439 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.250 7.447 -14.233 1.00 0.00 H new ATOM 253 N GLN A 19 -2.826 7.234 -8.710 1.00 0.00 N ATOM 254 CA GLN A 19 -2.714 6.343 -7.567 1.00 0.00 C ATOM 255 C GLN A 19 -3.209 7.041 -6.299 1.00 0.00 C ATOM 256 O GLN A 19 -2.424 7.321 -5.394 1.00 0.00 O ATOM 257 CB GLN A 19 -1.276 5.850 -7.396 1.00 0.00 C ATOM 258 CG GLN A 19 -0.345 6.999 -7.004 1.00 0.00 C ATOM 259 CD GLN A 19 0.771 7.176 -8.036 1.00 0.00 C ATOM 260 OE1 GLN A 19 0.539 7.270 -9.230 1.00 0.00 O ATOM 261 NE2 GLN A 19 1.992 7.216 -7.511 1.00 0.00 N ATOM 0 H GLN A 19 -2.924 8.221 -8.473 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.343 5.471 -7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -1.243 5.073 -6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.930 5.398 -8.325 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.917 7.923 -6.920 1.00 0.00 H new ATOM 0 HG3 GLN A 19 0.089 6.802 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 19 2.116 7.131 -6.502 1.00 0.00 H new ATOM 0 HE22 GLN A 19 2.804 7.331 -8.117 1.00 0.00 H new ATOM 270 N ALA A 20 -4.507 7.303 -6.274 1.00 0.00 N ATOM 271 CA ALA A 20 -5.116 7.964 -5.132 1.00 0.00 C ATOM 272 C ALA A 20 -6.588 8.246 -5.437 1.00 0.00 C ATOM 273 O ALA A 20 -7.442 8.127 -4.559 1.00 0.00 O ATOM 274 CB ALA A 20 -4.334 9.237 -4.802 1.00 0.00 C ATOM 0 H ALA A 20 -5.155 7.069 -7.027 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.079 7.322 -4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.791 9.733 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.302 8.979 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.351 9.908 -5.661 1.00 0.00 H new ATOM 280 N THR A 21 -6.841 8.616 -6.684 1.00 0.00 N ATOM 281 CA THR A 21 -8.195 8.917 -7.116 1.00 0.00 C ATOM 282 C THR A 21 -9.011 7.629 -7.248 1.00 0.00 C ATOM 283 O THR A 21 -9.626 7.178 -6.283 1.00 0.00 O ATOM 284 CB THR A 21 -8.110 9.718 -8.416 1.00 0.00 C ATOM 285 OG1 THR A 21 -7.566 10.973 -8.016 1.00 0.00 O ATOM 286 CG2 THR A 21 -9.489 10.073 -8.977 1.00 0.00 C ATOM 0 H THR A 21 -6.130 8.714 -7.409 1.00 0.00 H new ATOM 0 HA THR A 21 -8.720 9.523 -6.378 1.00 0.00 H new ATOM 0 HB THR A 21 -7.552 9.146 -9.158 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.475 11.555 -8.799 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.371 10.641 -9.900 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.045 9.158 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 21 -10.035 10.673 -8.249 1.00 0.00 H new ATOM 294 N ALA A 22 -8.991 7.074 -8.451 1.00 0.00 N ATOM 295 CA ALA A 22 -9.721 5.848 -8.722 1.00 0.00 C ATOM 296 C ALA A 22 -8.987 4.670 -8.078 1.00 0.00 C ATOM 297 O ALA A 22 -9.580 3.903 -7.320 1.00 0.00 O ATOM 298 CB ALA A 22 -9.888 5.675 -10.233 1.00 0.00 C ATOM 0 H ALA A 22 -8.480 7.451 -9.249 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.720 5.892 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.436 4.755 -10.436 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.441 6.523 -10.637 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.906 5.624 -10.704 1.00 0.00 H new ATOM 304 N GLU A 23 -7.707 4.562 -8.404 1.00 0.00 N ATOM 305 CA GLU A 23 -6.886 3.490 -7.867 1.00 0.00 C ATOM 306 C GLU A 23 -7.242 3.232 -6.401 1.00 0.00 C ATOM 307 O GLU A 23 -7.594 2.113 -6.032 1.00 0.00 O ATOM 308 CB GLU A 23 -5.398 3.809 -8.022 1.00 0.00 C ATOM 309 CG GLU A 23 -4.549 2.543 -7.890 1.00 0.00 C ATOM 310 CD GLU A 23 -3.701 2.319 -9.144 1.00 0.00 C ATOM 311 OE1 GLU A 23 -4.248 2.543 -10.246 1.00 0.00 O ATOM 312 OE2 GLU A 23 -2.526 1.929 -8.973 1.00 0.00 O ATOM 0 H GLU A 23 -7.219 5.199 -9.033 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.090 2.583 -8.435 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.221 4.270 -8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.097 4.534 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.900 2.625 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.197 1.682 -7.726 1.00 0.00 H new ATOM 319 N GLN A 24 -7.138 4.287 -5.606 1.00 0.00 N ATOM 320 CA GLN A 24 -7.445 4.189 -4.189 1.00 0.00 C ATOM 321 C GLN A 24 -8.720 3.370 -3.977 1.00 0.00 C ATOM 322 O GLN A 24 -8.690 2.325 -3.329 1.00 0.00 O ATOM 323 CB GLN A 24 -7.573 5.577 -3.558 1.00 0.00 C ATOM 324 CG GLN A 24 -7.727 5.477 -2.039 1.00 0.00 C ATOM 325 CD GLN A 24 -9.126 5.914 -1.600 1.00 0.00 C ATOM 326 OE1 GLN A 24 -9.371 7.063 -1.271 1.00 0.00 O ATOM 327 NE2 GLN A 24 -10.027 4.935 -1.613 1.00 0.00 N ATOM 0 H GLN A 24 -6.846 5.214 -5.916 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.621 3.676 -3.694 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.693 6.173 -3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -8.434 6.095 -3.981 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -7.545 4.451 -1.718 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.978 6.101 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.754 3.995 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.990 5.125 -1.336 1.00 0.00 H new ATOM 336 N ILE A 25 -9.809 3.876 -4.536 1.00 0.00 N ATOM 337 CA ILE A 25 -11.092 3.204 -4.416 1.00 0.00 C ATOM 338 C ILE A 25 -10.895 1.699 -4.607 1.00 0.00 C ATOM 339 O ILE A 25 -11.371 0.900 -3.802 1.00 0.00 O ATOM 340 CB ILE A 25 -12.110 3.818 -5.380 1.00 0.00 C ATOM 341 CG1 ILE A 25 -12.430 5.263 -4.991 1.00 0.00 C ATOM 342 CG2 ILE A 25 -13.371 2.956 -5.468 1.00 0.00 C ATOM 343 CD1 ILE A 25 -12.927 6.058 -6.200 1.00 0.00 C ATOM 0 H ILE A 25 -9.830 4.743 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.505 3.347 -3.418 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.667 3.842 -6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.188 5.273 -4.208 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.540 5.738 -4.579 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -14.078 3.415 -6.159 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.107 1.961 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -13.828 2.877 -4.481 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.147 7.082 -5.897 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.157 6.066 -6.972 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.831 5.594 -6.594 1.00 0.00 H new ATOM 355 N ARG A 26 -10.192 1.358 -5.677 1.00 0.00 N ATOM 356 CA ARG A 26 -9.926 -0.038 -5.984 1.00 0.00 C ATOM 357 C ARG A 26 -9.002 -0.647 -4.927 1.00 0.00 C ATOM 358 O ARG A 26 -9.181 -1.797 -4.530 1.00 0.00 O ATOM 359 CB ARG A 26 -9.280 -0.185 -7.363 1.00 0.00 C ATOM 360 CG ARG A 26 -10.343 -0.316 -8.456 1.00 0.00 C ATOM 361 CD ARG A 26 -10.171 -1.622 -9.233 1.00 0.00 C ATOM 362 NE ARG A 26 -10.614 -1.439 -10.634 1.00 0.00 N ATOM 363 CZ ARG A 26 -11.891 -1.264 -11.001 1.00 0.00 C ATOM 364 NH1 ARG A 26 -12.858 -1.247 -10.074 1.00 0.00 N ATOM 365 NH2 ARG A 26 -12.200 -1.106 -12.295 1.00 0.00 N ATOM 0 H ARG A 26 -9.798 2.024 -6.342 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.880 -0.565 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -8.649 0.680 -7.567 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -8.633 -1.062 -7.374 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.336 -0.283 -8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.273 0.530 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.127 -1.933 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.750 -2.415 -8.760 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.903 -1.447 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -12.622 -1.367 -9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -13.830 -1.114 -10.353 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.463 -1.119 -13.000 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.172 -0.973 -12.575 1.00 0.00 H new ATOM 379 N LEU A 27 -8.035 0.152 -4.502 1.00 0.00 N ATOM 380 CA LEU A 27 -7.082 -0.293 -3.500 1.00 0.00 C ATOM 381 C LEU A 27 -7.836 -0.696 -2.230 1.00 0.00 C ATOM 382 O LEU A 27 -7.793 -1.854 -1.819 1.00 0.00 O ATOM 383 CB LEU A 27 -6.011 0.773 -3.267 1.00 0.00 C ATOM 384 CG LEU A 27 -4.916 0.868 -4.331 1.00 0.00 C ATOM 385 CD1 LEU A 27 -3.740 1.711 -3.835 1.00 0.00 C ATOM 386 CD2 LEU A 27 -4.472 -0.524 -4.786 1.00 0.00 C ATOM 0 H LEU A 27 -7.891 1.106 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.547 -1.177 -3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.502 1.743 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.538 0.580 -2.304 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.330 1.375 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.976 1.762 -4.611 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.087 2.717 -3.601 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.318 1.255 -2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.693 -0.428 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.083 -1.079 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.324 -1.058 -5.208 1.00 0.00 H new ATOM 398 N ALA A 28 -8.509 0.284 -1.644 1.00 0.00 N ATOM 399 CA ALA A 28 -9.270 0.046 -0.430 1.00 0.00 C ATOM 400 C ALA A 28 -10.278 -1.079 -0.677 1.00 0.00 C ATOM 401 O ALA A 28 -10.710 -1.746 0.261 1.00 0.00 O ATOM 402 CB ALA A 28 -9.945 1.346 0.012 1.00 0.00 C ATOM 0 H ALA A 28 -8.543 1.244 -1.988 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.612 -0.272 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.516 1.168 0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.185 2.104 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.615 1.694 -0.774 1.00 0.00 H new ATOM 408 N GLN A 29 -10.622 -1.253 -1.944 1.00 0.00 N ATOM 409 CA GLN A 29 -11.571 -2.286 -2.326 1.00 0.00 C ATOM 410 C GLN A 29 -10.885 -3.654 -2.351 1.00 0.00 C ATOM 411 O GLN A 29 -11.503 -4.668 -2.031 1.00 0.00 O ATOM 412 CB GLN A 29 -12.211 -1.969 -3.679 1.00 0.00 C ATOM 413 CG GLN A 29 -12.860 -3.215 -4.284 1.00 0.00 C ATOM 414 CD GLN A 29 -14.187 -2.868 -4.962 1.00 0.00 C ATOM 415 OE1 GLN A 29 -15.154 -2.477 -4.329 1.00 0.00 O ATOM 416 NE2 GLN A 29 -14.179 -3.032 -6.282 1.00 0.00 N ATOM 0 H GLN A 29 -10.261 -0.697 -2.719 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.367 -2.314 -1.582 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.961 -1.187 -3.556 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -11.455 -1.581 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.183 -3.666 -5.010 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.029 -3.957 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -13.335 -3.363 -6.750 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.017 -2.827 -6.826 1.00 0.00 H new ATOM 425 N MET A 30 -9.617 -3.637 -2.733 1.00 0.00 N ATOM 426 CA MET A 30 -8.841 -4.863 -2.804 1.00 0.00 C ATOM 427 C MET A 30 -8.271 -5.232 -1.432 1.00 0.00 C ATOM 428 O MET A 30 -8.256 -6.403 -1.057 1.00 0.00 O ATOM 429 CB MET A 30 -7.694 -4.686 -3.802 1.00 0.00 C ATOM 430 CG MET A 30 -8.220 -4.641 -5.238 1.00 0.00 C ATOM 431 SD MET A 30 -7.310 -3.430 -6.183 1.00 0.00 S ATOM 432 CE MET A 30 -6.726 -4.457 -7.521 1.00 0.00 C ATOM 0 H MET A 30 -9.107 -2.794 -2.997 1.00 0.00 H new ATOM 0 HA MET A 30 -9.499 -5.668 -3.132 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.153 -3.766 -3.580 1.00 0.00 H new ATOM 0 HB3 MET A 30 -6.985 -5.507 -3.696 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.123 -5.623 -5.701 1.00 0.00 H new ATOM 0 HG3 MET A 30 -9.281 -4.392 -5.238 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.134 -3.855 -8.210 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.109 -5.261 -7.120 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.578 -4.883 -8.051 1.00 0.00 H new ATOM 442 N ILE A 31 -7.817 -4.210 -0.722 1.00 0.00 N ATOM 443 CA ILE A 31 -7.248 -4.411 0.600 1.00 0.00 C ATOM 444 C ILE A 31 -8.285 -5.090 1.498 1.00 0.00 C ATOM 445 O ILE A 31 -7.957 -6.012 2.243 1.00 0.00 O ATOM 446 CB ILE A 31 -6.718 -3.091 1.162 1.00 0.00 C ATOM 447 CG1 ILE A 31 -5.383 -2.716 0.514 1.00 0.00 C ATOM 448 CG2 ILE A 31 -6.618 -3.145 2.688 1.00 0.00 C ATOM 449 CD1 ILE A 31 -5.398 -1.265 0.029 1.00 0.00 C ATOM 0 H ILE A 31 -7.832 -3.240 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.386 -5.076 0.547 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.430 -2.304 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.574 -2.855 1.232 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.182 -3.382 -0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.239 -2.194 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.605 -3.333 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.939 -3.946 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.438 -1.024 -0.427 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.192 -1.135 -0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.575 -0.600 0.875 1.00 0.00 H new ATOM 461 N SER A 32 -9.514 -4.607 1.398 1.00 0.00 N ATOM 462 CA SER A 32 -10.601 -5.155 2.192 1.00 0.00 C ATOM 463 C SER A 32 -10.622 -6.680 2.068 1.00 0.00 C ATOM 464 O SER A 32 -10.519 -7.389 3.068 1.00 0.00 O ATOM 465 CB SER A 32 -11.947 -4.569 1.763 1.00 0.00 C ATOM 466 OG SER A 32 -13.043 -5.253 2.365 1.00 0.00 O ATOM 0 H SER A 32 -9.782 -3.842 0.779 1.00 0.00 H new ATOM 0 HA SER A 32 -10.434 -4.884 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.986 -3.514 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.037 -4.624 0.678 1.00 0.00 H new ATOM 0 HG SER A 32 -13.884 -4.848 2.067 1.00 0.00 H new ATOM 472 N ASP A 33 -10.756 -7.139 0.832 1.00 0.00 N ATOM 473 CA ASP A 33 -10.793 -8.567 0.565 1.00 0.00 C ATOM 474 C ASP A 33 -9.721 -9.266 1.403 1.00 0.00 C ATOM 475 O ASP A 33 -9.998 -10.266 2.063 1.00 0.00 O ATOM 476 CB ASP A 33 -10.505 -8.858 -0.910 1.00 0.00 C ATOM 477 CG ASP A 33 -11.445 -8.170 -1.900 1.00 0.00 C ATOM 478 OD1 ASP A 33 -12.647 -8.073 -1.569 1.00 0.00 O ATOM 479 OD2 ASP A 33 -10.942 -7.756 -2.967 1.00 0.00 O ATOM 0 H ASP A 33 -10.840 -6.548 0.005 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.788 -8.932 0.818 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.482 -8.554 -1.132 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.559 -9.935 -1.070 1.00 0.00 H new ATOM 484 N HIS A 34 -8.518 -8.712 1.349 1.00 0.00 N ATOM 485 CA HIS A 34 -7.403 -9.270 2.095 1.00 0.00 C ATOM 486 C HIS A 34 -7.085 -8.371 3.291 1.00 0.00 C ATOM 487 O HIS A 34 -5.963 -7.885 3.425 1.00 0.00 O ATOM 488 CB HIS A 34 -6.196 -9.493 1.182 1.00 0.00 C ATOM 489 CG HIS A 34 -6.416 -10.539 0.116 1.00 0.00 C ATOM 490 ND1 HIS A 34 -6.315 -11.897 0.366 1.00 0.00 N ATOM 491 CD2 HIS A 34 -6.733 -10.413 -1.204 1.00 0.00 C ATOM 492 CE1 HIS A 34 -6.562 -12.549 -0.760 1.00 0.00 C ATOM 493 NE2 HIS A 34 -6.820 -11.628 -1.733 1.00 0.00 N ATOM 0 H HIS A 34 -8.292 -7.883 0.800 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.676 -10.251 2.485 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -5.937 -8.549 0.702 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -5.341 -9.785 1.792 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -6.887 -9.483 -1.730 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.560 -13.622 -0.886 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.043 -11.838 -2.706 1.00 0.00 H new ATOM 501 N ASN A 35 -8.092 -8.177 4.129 1.00 0.00 N ATOM 502 CA ASN A 35 -7.933 -7.344 5.310 1.00 0.00 C ATOM 503 C ASN A 35 -6.752 -7.858 6.136 1.00 0.00 C ATOM 504 O ASN A 35 -5.908 -7.076 6.571 1.00 0.00 O ATOM 505 CB ASN A 35 -9.183 -7.394 6.191 1.00 0.00 C ATOM 506 CG ASN A 35 -9.962 -6.079 6.111 1.00 0.00 C ATOM 507 OD1 ASN A 35 -9.598 -5.075 6.700 1.00 0.00 O ATOM 508 ND2 ASN A 35 -11.053 -6.142 5.352 1.00 0.00 N ATOM 0 H ASN A 35 -9.021 -8.582 4.014 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.765 -6.319 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.822 -8.219 5.876 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.897 -7.589 7.224 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.642 -5.317 5.236 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.301 -7.015 4.886 1.00 0.00 H new ATOM 515 N ASP A 36 -6.730 -9.169 6.326 1.00 0.00 N ATOM 516 CA ASP A 36 -5.666 -9.796 7.092 1.00 0.00 C ATOM 517 C ASP A 36 -5.666 -9.231 8.514 1.00 0.00 C ATOM 518 O ASP A 36 -6.097 -8.100 8.736 1.00 0.00 O ATOM 519 CB ASP A 36 -4.298 -9.511 6.470 1.00 0.00 C ATOM 520 CG ASP A 36 -3.103 -10.029 7.272 1.00 0.00 C ATOM 521 OD1 ASP A 36 -3.279 -11.065 7.949 1.00 0.00 O ATOM 522 OD2 ASP A 36 -2.039 -9.377 7.191 1.00 0.00 O ATOM 0 H ASP A 36 -7.432 -9.814 5.963 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.843 -10.872 7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.268 -9.955 5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.191 -8.434 6.342 1.00 0.00 H new ATOM 527 N ALA A 37 -5.179 -10.044 9.440 1.00 0.00 N ATOM 528 CA ALA A 37 -5.117 -9.639 10.834 1.00 0.00 C ATOM 529 C ALA A 37 -3.832 -8.844 11.073 1.00 0.00 C ATOM 530 O ALA A 37 -3.864 -7.769 11.671 1.00 0.00 O ATOM 531 CB ALA A 37 -5.213 -10.876 11.729 1.00 0.00 C ATOM 0 H ALA A 37 -4.824 -10.981 9.252 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.957 -8.990 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -5.167 -10.573 12.775 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.156 -11.389 11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.384 -11.549 11.509 1.00 0.00 H new ATOM 537 N ASP A 38 -2.730 -9.403 10.593 1.00 0.00 N ATOM 538 CA ASP A 38 -1.437 -8.759 10.748 1.00 0.00 C ATOM 539 C ASP A 38 -1.543 -7.297 10.309 1.00 0.00 C ATOM 540 O ASP A 38 -1.218 -6.391 11.073 1.00 0.00 O ATOM 541 CB ASP A 38 -0.377 -9.438 9.878 1.00 0.00 C ATOM 542 CG ASP A 38 -0.281 -10.956 10.041 1.00 0.00 C ATOM 543 OD1 ASP A 38 -1.179 -11.642 9.506 1.00 0.00 O ATOM 544 OD2 ASP A 38 0.687 -11.397 10.698 1.00 0.00 O ATOM 0 H ASP A 38 -2.706 -10.294 10.097 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.147 -8.834 11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.588 -9.213 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.595 -9.001 10.108 1.00 0.00 H new ATOM 549 N PHE A 39 -2.000 -7.114 9.079 1.00 0.00 N ATOM 550 CA PHE A 39 -2.154 -5.778 8.529 1.00 0.00 C ATOM 551 C PHE A 39 -3.140 -4.953 9.359 1.00 0.00 C ATOM 552 O PHE A 39 -2.884 -3.787 9.655 1.00 0.00 O ATOM 553 CB PHE A 39 -2.708 -5.938 7.112 1.00 0.00 C ATOM 554 CG PHE A 39 -3.083 -4.617 6.437 1.00 0.00 C ATOM 555 CD1 PHE A 39 -4.327 -4.096 6.607 1.00 0.00 C ATOM 556 CD2 PHE A 39 -2.172 -3.965 5.667 1.00 0.00 C ATOM 557 CE1 PHE A 39 -4.675 -2.870 5.981 1.00 0.00 C ATOM 558 CE2 PHE A 39 -2.519 -2.739 5.040 1.00 0.00 C ATOM 559 CZ PHE A 39 -3.764 -2.217 5.211 1.00 0.00 C ATOM 0 H PHE A 39 -2.269 -7.869 8.448 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.194 -5.261 8.535 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.966 -6.450 6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.589 -6.579 7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.051 -4.615 7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.184 -4.380 5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.663 -2.456 6.116 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.795 -2.221 4.428 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.029 -1.284 4.735 1.00 0.00 H new ATOM 569 N GLU A 40 -4.246 -5.592 9.711 1.00 0.00 N ATOM 570 CA GLU A 40 -5.272 -4.932 10.501 1.00 0.00 C ATOM 571 C GLU A 40 -4.659 -4.323 11.764 1.00 0.00 C ATOM 572 O GLU A 40 -4.768 -3.119 11.993 1.00 0.00 O ATOM 573 CB GLU A 40 -6.402 -5.901 10.852 1.00 0.00 C ATOM 574 CG GLU A 40 -7.443 -5.959 9.733 1.00 0.00 C ATOM 575 CD GLU A 40 -8.636 -5.054 10.046 1.00 0.00 C ATOM 576 OE1 GLU A 40 -9.109 -5.118 11.202 1.00 0.00 O ATOM 577 OE2 GLU A 40 -9.049 -4.320 9.123 1.00 0.00 O ATOM 0 H GLU A 40 -4.454 -6.559 9.464 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.701 -4.127 9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.992 -6.896 11.024 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.879 -5.588 11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.987 -5.653 8.791 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.785 -6.986 9.603 1.00 0.00 H new ATOM 584 N GLU A 41 -4.027 -5.182 12.550 1.00 0.00 N ATOM 585 CA GLU A 41 -3.397 -4.744 13.784 1.00 0.00 C ATOM 586 C GLU A 41 -2.478 -3.550 13.515 1.00 0.00 C ATOM 587 O GLU A 41 -2.382 -2.640 14.337 1.00 0.00 O ATOM 588 CB GLU A 41 -2.628 -5.890 14.444 1.00 0.00 C ATOM 589 CG GLU A 41 -3.319 -6.344 15.731 1.00 0.00 C ATOM 590 CD GLU A 41 -3.151 -5.303 16.840 1.00 0.00 C ATOM 591 OE1 GLU A 41 -3.575 -4.151 16.606 1.00 0.00 O ATOM 592 OE2 GLU A 41 -2.602 -5.684 17.897 1.00 0.00 O ATOM 0 H GLU A 41 -3.938 -6.179 12.356 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.178 -4.429 14.476 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.553 -6.729 13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.610 -5.569 14.667 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.379 -6.509 15.540 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.901 -7.297 16.056 1.00 0.00 H new ATOM 599 N LYS A 42 -1.826 -3.594 12.363 1.00 0.00 N ATOM 600 CA LYS A 42 -0.918 -2.527 11.976 1.00 0.00 C ATOM 601 C LYS A 42 -1.717 -1.244 11.737 1.00 0.00 C ATOM 602 O LYS A 42 -1.439 -0.213 12.347 1.00 0.00 O ATOM 603 CB LYS A 42 -0.069 -2.955 10.778 1.00 0.00 C ATOM 604 CG LYS A 42 1.000 -3.966 11.196 1.00 0.00 C ATOM 605 CD LYS A 42 2.118 -4.045 10.154 1.00 0.00 C ATOM 606 CE LYS A 42 2.915 -5.343 10.303 1.00 0.00 C ATOM 607 NZ LYS A 42 2.083 -6.508 9.927 1.00 0.00 N ATOM 0 H LYS A 42 -1.908 -4.351 11.685 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.212 -2.318 12.779 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.709 -3.393 10.012 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.406 -2.080 10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.418 -3.681 12.162 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.546 -4.949 11.323 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.691 -3.989 9.153 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.785 -3.190 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.804 -5.305 9.673 1.00 0.00 H new ATOM 0 HE3 LYS A 42 3.258 -5.450 11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.698 -7.290 9.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.518 -6.810 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.448 -6.244 9.147 1.00 0.00 H new ATOM 621 N VAL A 43 -2.694 -1.351 10.849 1.00 0.00 N ATOM 622 CA VAL A 43 -3.535 -0.212 10.522 1.00 0.00 C ATOM 623 C VAL A 43 -3.875 0.550 11.804 1.00 0.00 C ATOM 624 O VAL A 43 -3.670 1.761 11.883 1.00 0.00 O ATOM 625 CB VAL A 43 -4.776 -0.681 9.758 1.00 0.00 C ATOM 626 CG1 VAL A 43 -5.840 0.418 9.716 1.00 0.00 C ATOM 627 CG2 VAL A 43 -4.409 -1.143 8.347 1.00 0.00 C ATOM 0 H VAL A 43 -2.922 -2.208 10.346 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.006 0.478 9.865 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.196 -1.534 10.291 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.711 0.060 9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.133 0.680 10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.434 1.298 9.218 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.309 -1.471 7.826 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.954 -0.317 7.801 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.703 -1.971 8.407 1.00 0.00 H new ATOM 637 N LYS A 44 -4.388 -0.189 12.776 1.00 0.00 N ATOM 638 CA LYS A 44 -4.758 0.402 14.051 1.00 0.00 C ATOM 639 C LYS A 44 -3.540 1.103 14.655 1.00 0.00 C ATOM 640 O LYS A 44 -3.643 2.232 15.133 1.00 0.00 O ATOM 641 CB LYS A 44 -5.381 -0.651 14.969 1.00 0.00 C ATOM 642 CG LYS A 44 -6.851 -0.887 14.616 1.00 0.00 C ATOM 643 CD LYS A 44 -7.453 -1.992 15.486 1.00 0.00 C ATOM 644 CE LYS A 44 -8.684 -2.607 14.817 1.00 0.00 C ATOM 645 NZ LYS A 44 -9.720 -2.922 15.826 1.00 0.00 N ATOM 0 H LYS A 44 -4.556 -1.193 12.707 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.526 1.162 13.911 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.828 -1.586 14.883 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.300 -0.327 16.007 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.414 0.036 14.753 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.937 -1.160 13.564 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.707 -2.766 15.665 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.729 -1.584 16.459 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.087 -1.915 14.077 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.400 -3.514 14.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.548 -3.339 15.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.338 -3.599 16.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.003 -2.050 16.317 1.00 0.00 H new ATOM 659 N GLN A 45 -2.415 0.404 14.615 1.00 0.00 N ATOM 660 CA GLN A 45 -1.179 0.946 15.154 1.00 0.00 C ATOM 661 C GLN A 45 -0.859 2.292 14.500 1.00 0.00 C ATOM 662 O GLN A 45 -0.360 3.203 15.158 1.00 0.00 O ATOM 663 CB GLN A 45 -0.023 -0.040 14.971 1.00 0.00 C ATOM 664 CG GLN A 45 0.295 -0.762 16.282 1.00 0.00 C ATOM 665 CD GLN A 45 1.627 -0.282 16.863 1.00 0.00 C ATOM 666 OE1 GLN A 45 2.698 -0.703 16.457 1.00 0.00 O ATOM 667 NE2 GLN A 45 1.501 0.619 17.833 1.00 0.00 N ATOM 0 H GLN A 45 -2.333 -0.532 14.218 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.312 1.106 16.224 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.281 -0.770 14.203 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.862 0.492 14.621 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.504 -0.586 17.002 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.336 -1.837 16.108 1.00 0.00 H new ATOM 0 HE21 GLN A 45 0.574 0.928 18.125 1.00 0.00 H new ATOM 0 HE22 GLN A 45 2.332 1.001 18.285 1.00 0.00 H new ATOM 676 N LEU A 46 -1.161 2.374 13.212 1.00 0.00 N ATOM 677 CA LEU A 46 -0.912 3.593 12.462 1.00 0.00 C ATOM 678 C LEU A 46 -1.776 4.721 13.029 1.00 0.00 C ATOM 679 O LEU A 46 -1.294 5.834 13.236 1.00 0.00 O ATOM 680 CB LEU A 46 -1.119 3.353 10.965 1.00 0.00 C ATOM 681 CG LEU A 46 -0.016 2.567 10.253 1.00 0.00 C ATOM 682 CD1 LEU A 46 -0.491 2.070 8.887 1.00 0.00 C ATOM 683 CD2 LEU A 46 1.267 3.395 10.147 1.00 0.00 C ATOM 0 H LEU A 46 -1.576 1.616 12.669 1.00 0.00 H new ATOM 0 HA LEU A 46 0.128 3.902 12.571 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.061 2.822 10.829 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.224 4.320 10.473 1.00 0.00 H new ATOM 0 HG LEU A 46 0.217 1.687 10.853 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.312 1.515 8.402 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.355 1.419 9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.769 2.922 8.266 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.035 2.813 9.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.067 4.305 9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.615 3.657 11.146 1.00 0.00 H new ATOM 695 N ILE A 47 -3.039 4.395 13.265 1.00 0.00 N ATOM 696 CA ILE A 47 -3.975 5.366 13.804 1.00 0.00 C ATOM 697 C ILE A 47 -3.494 5.821 15.184 1.00 0.00 C ATOM 698 O ILE A 47 -3.280 7.011 15.409 1.00 0.00 O ATOM 699 CB ILE A 47 -5.396 4.799 13.805 1.00 0.00 C ATOM 700 CG1 ILE A 47 -6.053 4.965 12.433 1.00 0.00 C ATOM 701 CG2 ILE A 47 -6.235 5.422 14.922 1.00 0.00 C ATOM 702 CD1 ILE A 47 -7.352 4.162 12.347 1.00 0.00 C ATOM 0 H ILE A 47 -3.435 3.471 13.092 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.011 6.252 13.170 1.00 0.00 H new ATOM 0 HB ILE A 47 -5.337 3.729 14.007 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -6.260 6.019 12.250 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.365 4.636 11.654 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -7.240 5.001 14.900 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.773 5.208 15.886 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.290 6.501 14.777 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.799 4.297 11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.138 3.105 12.506 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -8.046 4.511 13.111 1.00 0.00 H new ATOM 714 N ASP A 48 -3.337 4.849 16.070 1.00 0.00 N ATOM 715 CA ASP A 48 -2.885 5.134 17.421 1.00 0.00 C ATOM 716 C ASP A 48 -1.615 5.985 17.361 1.00 0.00 C ATOM 717 O ASP A 48 -1.486 6.967 18.091 1.00 0.00 O ATOM 718 CB ASP A 48 -2.555 3.844 18.175 1.00 0.00 C ATOM 719 CG ASP A 48 -3.503 3.508 19.328 1.00 0.00 C ATOM 720 OD1 ASP A 48 -3.826 4.445 20.089 1.00 0.00 O ATOM 721 OD2 ASP A 48 -3.883 2.321 19.422 1.00 0.00 O ATOM 0 H ASP A 48 -3.515 3.863 15.879 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.686 5.660 17.940 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.561 3.015 17.467 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -1.541 3.920 18.568 1.00 0.00 H new ATOM 726 N ILE A 49 -0.710 5.578 16.483 1.00 0.00 N ATOM 727 CA ILE A 49 0.545 6.291 16.318 1.00 0.00 C ATOM 728 C ILE A 49 0.267 7.674 15.727 1.00 0.00 C ATOM 729 O ILE A 49 0.416 8.687 16.409 1.00 0.00 O ATOM 730 CB ILE A 49 1.531 5.458 15.496 1.00 0.00 C ATOM 731 CG1 ILE A 49 1.979 4.217 16.271 1.00 0.00 C ATOM 732 CG2 ILE A 49 2.718 6.307 15.037 1.00 0.00 C ATOM 733 CD1 ILE A 49 2.241 3.044 15.324 1.00 0.00 C ATOM 0 H ILE A 49 -0.821 4.764 15.879 1.00 0.00 H new ATOM 0 HA ILE A 49 1.024 6.447 17.285 1.00 0.00 H new ATOM 0 HB ILE A 49 1.019 5.110 14.599 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.884 4.443 16.835 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.213 3.940 16.995 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.403 5.690 14.455 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.359 7.131 14.421 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.239 6.705 15.908 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.558 2.175 15.900 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.327 2.805 14.780 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.024 3.316 14.616 1.00 0.00 H new ATOM 745 N THR A 50 -0.133 7.673 14.463 1.00 0.00 N ATOM 746 CA THR A 50 -0.433 8.915 13.772 1.00 0.00 C ATOM 747 C THR A 50 -1.856 9.376 14.097 1.00 0.00 C ATOM 748 O THR A 50 -2.046 10.369 14.797 1.00 0.00 O ATOM 749 CB THR A 50 -0.192 8.695 12.278 1.00 0.00 C ATOM 750 OG1 THR A 50 -1.240 7.814 11.883 1.00 0.00 O ATOM 751 CG2 THR A 50 1.087 7.902 12.001 1.00 0.00 C ATOM 0 H THR A 50 -0.256 6.831 13.900 1.00 0.00 H new ATOM 0 HA THR A 50 0.220 9.721 14.106 1.00 0.00 H new ATOM 0 HB THR A 50 -0.136 9.660 11.774 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.019 6.899 12.157 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.210 7.774 10.926 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.944 8.442 12.403 1.00 0.00 H new ATOM 0 HG23 THR A 50 1.019 6.924 12.477 1.00 0.00 H new ATOM 759 N GLY A 51 -2.818 8.631 13.573 1.00 0.00 N ATOM 760 CA GLY A 51 -4.218 8.950 13.798 1.00 0.00 C ATOM 761 C GLY A 51 -4.879 9.455 12.514 1.00 0.00 C ATOM 762 O GLY A 51 -5.942 10.072 12.560 1.00 0.00 O ATOM 0 H GLY A 51 -2.656 7.808 12.993 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.743 8.065 14.158 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.301 9.708 14.577 1.00 0.00 H new ATOM 766 N LYS A 52 -4.221 9.175 11.399 1.00 0.00 N ATOM 767 CA LYS A 52 -4.731 9.594 10.104 1.00 0.00 C ATOM 768 C LYS A 52 -5.939 8.731 9.734 1.00 0.00 C ATOM 769 O LYS A 52 -6.134 7.654 10.296 1.00 0.00 O ATOM 770 CB LYS A 52 -3.616 9.573 9.056 1.00 0.00 C ATOM 771 CG LYS A 52 -2.444 10.458 9.485 1.00 0.00 C ATOM 772 CD LYS A 52 -2.783 11.940 9.311 1.00 0.00 C ATOM 773 CE LYS A 52 -1.518 12.769 9.084 1.00 0.00 C ATOM 774 NZ LYS A 52 -1.807 13.928 8.210 1.00 0.00 N ATOM 0 H LYS A 52 -3.339 8.663 11.365 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.077 10.627 10.147 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.269 8.550 8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.006 9.918 8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.195 10.258 10.527 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.562 10.211 8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.460 12.065 8.466 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.306 12.303 10.196 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.127 13.116 10.041 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.746 12.148 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -0.937 14.480 8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.159 13.591 7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.528 14.529 8.657 1.00 0.00 H new ATOM 788 N ASN A 53 -6.720 9.236 8.790 1.00 0.00 N ATOM 789 CA ASN A 53 -7.904 8.525 8.338 1.00 0.00 C ATOM 790 C ASN A 53 -7.572 7.039 8.181 1.00 0.00 C ATOM 791 O ASN A 53 -6.698 6.674 7.396 1.00 0.00 O ATOM 792 CB ASN A 53 -8.376 9.049 6.980 1.00 0.00 C ATOM 793 CG ASN A 53 -8.657 10.552 7.041 1.00 0.00 C ATOM 794 OD1 ASN A 53 -8.983 11.108 8.076 1.00 0.00 O ATOM 795 ND2 ASN A 53 -8.512 11.176 5.875 1.00 0.00 N ATOM 0 H ASN A 53 -6.556 10.129 8.326 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.691 8.676 9.077 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.617 8.848 6.224 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.278 8.519 6.675 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.676 12.181 5.810 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.236 10.650 5.046 1.00 0.00 H new ATOM 802 N GLN A 54 -8.288 6.223 8.940 1.00 0.00 N ATOM 803 CA GLN A 54 -8.080 4.785 8.896 1.00 0.00 C ATOM 804 C GLN A 54 -7.828 4.330 7.457 1.00 0.00 C ATOM 805 O GLN A 54 -6.831 3.665 7.179 1.00 0.00 O ATOM 806 CB GLN A 54 -9.270 4.041 9.506 1.00 0.00 C ATOM 807 CG GLN A 54 -8.889 2.605 9.871 1.00 0.00 C ATOM 808 CD GLN A 54 -9.931 1.980 10.801 1.00 0.00 C ATOM 809 OE1 GLN A 54 -10.280 2.522 11.837 1.00 0.00 O ATOM 810 NE2 GLN A 54 -10.407 0.814 10.375 1.00 0.00 N ATOM 0 H GLN A 54 -9.013 6.530 9.589 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.199 4.545 9.492 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.615 4.567 10.396 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.100 4.033 8.799 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -8.801 2.007 8.964 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.912 2.596 10.355 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.072 0.416 9.498 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.108 0.317 10.925 1.00 0.00 H new ATOM 819 N ASP A 55 -8.748 4.706 6.581 1.00 0.00 N ATOM 820 CA ASP A 55 -8.637 4.344 5.178 1.00 0.00 C ATOM 821 C ASP A 55 -7.240 4.706 4.671 1.00 0.00 C ATOM 822 O ASP A 55 -6.560 3.876 4.070 1.00 0.00 O ATOM 823 CB ASP A 55 -9.659 5.105 4.331 1.00 0.00 C ATOM 824 CG ASP A 55 -11.084 4.553 4.385 1.00 0.00 C ATOM 825 OD1 ASP A 55 -11.332 3.552 3.679 1.00 0.00 O ATOM 826 OD2 ASP A 55 -11.894 5.143 5.132 1.00 0.00 O ATOM 0 H ASP A 55 -9.573 5.257 6.815 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.821 3.273 5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.676 6.145 4.657 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.323 5.101 3.294 1.00 0.00 H new ATOM 831 N GLU A 56 -6.852 5.945 4.934 1.00 0.00 N ATOM 832 CA GLU A 56 -5.548 6.427 4.511 1.00 0.00 C ATOM 833 C GLU A 56 -4.445 5.511 5.047 1.00 0.00 C ATOM 834 O GLU A 56 -3.550 5.111 4.304 1.00 0.00 O ATOM 835 CB GLU A 56 -5.326 7.873 4.960 1.00 0.00 C ATOM 836 CG GLU A 56 -6.162 8.841 4.120 1.00 0.00 C ATOM 837 CD GLU A 56 -5.337 9.421 2.969 1.00 0.00 C ATOM 838 OE1 GLU A 56 -4.889 8.612 2.129 1.00 0.00 O ATOM 839 OE2 GLU A 56 -5.175 10.660 2.955 1.00 0.00 O ATOM 0 H GLU A 56 -7.418 6.630 5.435 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.511 6.410 3.422 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.591 7.976 6.012 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.270 8.127 4.871 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.034 8.323 3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.532 9.649 4.751 1.00 0.00 H new ATOM 846 N CYS A 57 -4.546 5.206 6.333 1.00 0.00 N ATOM 847 CA CYS A 57 -3.568 4.345 6.977 1.00 0.00 C ATOM 848 C CYS A 57 -3.454 3.055 6.162 1.00 0.00 C ATOM 849 O CYS A 57 -2.352 2.623 5.828 1.00 0.00 O ATOM 850 CB CYS A 57 -3.933 4.068 8.436 1.00 0.00 C ATOM 851 SG CYS A 57 -4.103 5.645 9.349 1.00 0.00 S ATOM 0 H CYS A 57 -5.290 5.540 6.946 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.600 4.845 7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.866 3.507 8.486 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.165 3.450 8.901 1.00 0.00 H new ATOM 0 HG CYS A 57 -5.337 6.050 9.289 1.00 0.00 H new ATOM 857 N VAL A 58 -4.608 2.476 5.865 1.00 0.00 N ATOM 858 CA VAL A 58 -4.652 1.244 5.096 1.00 0.00 C ATOM 859 C VAL A 58 -3.913 1.448 3.772 1.00 0.00 C ATOM 860 O VAL A 58 -3.064 0.640 3.400 1.00 0.00 O ATOM 861 CB VAL A 58 -6.102 0.796 4.908 1.00 0.00 C ATOM 862 CG1 VAL A 58 -6.186 -0.409 3.969 1.00 0.00 C ATOM 863 CG2 VAL A 58 -6.760 0.488 6.255 1.00 0.00 C ATOM 0 H VAL A 58 -5.520 2.838 6.143 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.145 0.441 5.631 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.650 1.618 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -7.228 -0.707 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.774 -0.141 2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.616 -1.238 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -7.790 0.172 6.093 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -6.210 -0.309 6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.749 1.382 6.878 1.00 0.00 H new ATOM 873 N ILE A 59 -4.262 2.533 3.097 1.00 0.00 N ATOM 874 CA ILE A 59 -3.643 2.854 1.823 1.00 0.00 C ATOM 875 C ILE A 59 -2.135 3.021 2.021 1.00 0.00 C ATOM 876 O ILE A 59 -1.340 2.409 1.311 1.00 0.00 O ATOM 877 CB ILE A 59 -4.319 4.072 1.190 1.00 0.00 C ATOM 878 CG1 ILE A 59 -5.809 3.814 0.960 1.00 0.00 C ATOM 879 CG2 ILE A 59 -3.604 4.488 -0.098 1.00 0.00 C ATOM 880 CD1 ILE A 59 -6.632 5.075 1.232 1.00 0.00 C ATOM 0 H ILE A 59 -4.966 3.202 3.409 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.783 2.037 1.115 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.240 4.907 1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.970 3.484 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.147 3.007 1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.104 5.356 -0.528 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.568 4.741 0.126 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.630 3.664 -0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.688 4.864 1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.487 5.388 2.266 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.308 5.872 0.563 1.00 0.00 H new ATOM 892 N ALA A 60 -1.787 3.855 2.991 1.00 0.00 N ATOM 893 CA ALA A 60 -0.389 4.111 3.292 1.00 0.00 C ATOM 894 C ALA A 60 0.320 2.783 3.569 1.00 0.00 C ATOM 895 O ALA A 60 1.243 2.406 2.849 1.00 0.00 O ATOM 896 CB ALA A 60 -0.290 5.082 4.470 1.00 0.00 C ATOM 0 H ALA A 60 -2.449 4.362 3.578 1.00 0.00 H new ATOM 0 HA ALA A 60 0.108 4.579 2.442 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.759 5.274 4.696 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.783 6.019 4.212 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.775 4.646 5.343 1.00 0.00 H new ATOM 902 N LEU A 61 -0.139 2.112 4.615 1.00 0.00 N ATOM 903 CA LEU A 61 0.440 0.834 4.997 1.00 0.00 C ATOM 904 C LEU A 61 0.667 -0.012 3.743 1.00 0.00 C ATOM 905 O LEU A 61 1.787 -0.444 3.476 1.00 0.00 O ATOM 906 CB LEU A 61 -0.428 0.148 6.054 1.00 0.00 C ATOM 907 CG LEU A 61 0.217 -1.029 6.789 1.00 0.00 C ATOM 908 CD1 LEU A 61 1.636 -0.682 7.242 1.00 0.00 C ATOM 909 CD2 LEU A 61 -0.659 -1.495 7.953 1.00 0.00 C ATOM 0 H LEU A 61 -0.905 2.428 5.210 1.00 0.00 H new ATOM 0 HA LEU A 61 1.414 0.980 5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.724 0.893 6.792 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.340 -0.205 5.573 1.00 0.00 H new ATOM 0 HG LEU A 61 0.297 -1.864 6.093 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.071 -1.536 7.762 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.246 -0.437 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.604 0.175 7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.178 -2.332 8.458 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.794 -0.675 8.658 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.631 -1.811 7.573 1.00 0.00 H new ATOM 921 N HIS A 62 -0.414 -0.225 3.007 1.00 0.00 N ATOM 922 CA HIS A 62 -0.347 -1.012 1.788 1.00 0.00 C ATOM 923 C HIS A 62 0.679 -0.395 0.835 1.00 0.00 C ATOM 924 O HIS A 62 1.570 -1.086 0.344 1.00 0.00 O ATOM 925 CB HIS A 62 -1.733 -1.155 1.156 1.00 0.00 C ATOM 926 CG HIS A 62 -1.737 -1.910 -0.151 1.00 0.00 C ATOM 927 ND1 HIS A 62 -2.097 -3.243 -0.246 1.00 0.00 N ATOM 928 CD2 HIS A 62 -1.422 -1.506 -1.415 1.00 0.00 C ATOM 929 CE1 HIS A 62 -1.999 -3.614 -1.514 1.00 0.00 C ATOM 930 NE2 HIS A 62 -1.580 -2.536 -2.237 1.00 0.00 N ATOM 0 H HIS A 62 -1.342 0.134 3.232 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.013 -2.023 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.391 -1.664 1.860 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.150 -0.162 0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.099 -0.515 -1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -2.213 -4.597 -1.906 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.415 -2.523 -3.244 1.00 0.00 H new ATOM 938 N ASP A 63 0.518 0.899 0.600 1.00 0.00 N ATOM 939 CA ASP A 63 1.418 1.617 -0.286 1.00 0.00 C ATOM 940 C ASP A 63 2.851 1.136 -0.048 1.00 0.00 C ATOM 941 O ASP A 63 3.608 0.936 -0.997 1.00 0.00 O ATOM 942 CB ASP A 63 1.373 3.122 -0.015 1.00 0.00 C ATOM 943 CG ASP A 63 1.699 4.006 -1.221 1.00 0.00 C ATOM 944 OD1 ASP A 63 0.949 3.906 -2.216 1.00 0.00 O ATOM 945 OD2 ASP A 63 2.690 4.761 -1.120 1.00 0.00 O ATOM 0 H ASP A 63 -0.223 1.469 1.008 1.00 0.00 H new ATOM 0 HA ASP A 63 1.105 1.426 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.378 3.381 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.075 3.353 0.786 1.00 0.00 H new ATOM 950 N CYS A 64 3.180 0.965 1.224 1.00 0.00 N ATOM 951 CA CYS A 64 4.509 0.512 1.599 1.00 0.00 C ATOM 952 C CYS A 64 4.573 -1.004 1.401 1.00 0.00 C ATOM 953 O CYS A 64 5.372 -1.496 0.605 1.00 0.00 O ATOM 954 CB CYS A 64 4.862 0.916 3.032 1.00 0.00 C ATOM 955 SG CYS A 64 6.419 1.876 3.046 1.00 0.00 S ATOM 0 H CYS A 64 2.549 1.132 2.008 1.00 0.00 H new ATOM 0 HA CYS A 64 5.252 0.993 0.963 1.00 0.00 H new ATOM 0 HB2 CYS A 64 4.055 1.510 3.460 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.968 0.027 3.654 1.00 0.00 H new ATOM 0 HG CYS A 64 6.400 2.719 4.035 1.00 0.00 H new ATOM 961 N ASN A 65 3.722 -1.701 2.138 1.00 0.00 N ATOM 962 CA ASN A 65 3.671 -3.151 2.054 1.00 0.00 C ATOM 963 C ASN A 65 2.951 -3.704 3.285 1.00 0.00 C ATOM 964 O ASN A 65 2.058 -4.542 3.162 1.00 0.00 O ATOM 965 CB ASN A 65 5.079 -3.750 2.020 1.00 0.00 C ATOM 966 CG ASN A 65 5.351 -4.436 0.680 1.00 0.00 C ATOM 967 OD1 ASN A 65 5.399 -3.812 -0.367 1.00 0.00 O ATOM 968 ND2 ASN A 65 5.528 -5.751 0.772 1.00 0.00 N ATOM 0 H ASN A 65 3.061 -1.289 2.797 1.00 0.00 H new ATOM 0 HA ASN A 65 3.143 -3.418 1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.816 -2.965 2.187 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.191 -4.470 2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.717 -6.300 -0.067 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.474 -6.210 1.681 1.00 0.00 H new ATOM 975 N GLY A 66 3.366 -3.214 4.444 1.00 0.00 N ATOM 976 CA GLY A 66 2.771 -3.649 5.696 1.00 0.00 C ATOM 977 C GLY A 66 3.724 -3.407 6.869 1.00 0.00 C ATOM 978 O GLY A 66 3.877 -4.265 7.737 1.00 0.00 O ATOM 0 H GLY A 66 4.107 -2.520 4.542 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.837 -3.113 5.865 1.00 0.00 H new ATOM 0 HA3 GLY A 66 2.524 -4.709 5.636 1.00 0.00 H new ATOM 982 N ASP A 67 4.339 -2.233 6.857 1.00 0.00 N ATOM 983 CA ASP A 67 5.272 -1.867 7.908 1.00 0.00 C ATOM 984 C ASP A 67 4.800 -0.573 8.575 1.00 0.00 C ATOM 985 O ASP A 67 5.042 0.518 8.061 1.00 0.00 O ATOM 986 CB ASP A 67 6.672 -1.624 7.342 1.00 0.00 C ATOM 987 CG ASP A 67 7.755 -2.571 7.864 1.00 0.00 C ATOM 988 OD1 ASP A 67 7.718 -3.753 7.458 1.00 0.00 O ATOM 989 OD2 ASP A 67 8.594 -2.092 8.656 1.00 0.00 O ATOM 0 H ASP A 67 4.209 -1.523 6.136 1.00 0.00 H new ATOM 0 HA ASP A 67 5.311 -2.687 8.625 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.628 -1.710 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.966 -0.599 7.569 1.00 0.00 H new ATOM 994 N VAL A 68 4.135 -0.737 9.709 1.00 0.00 N ATOM 995 CA VAL A 68 3.627 0.404 10.451 1.00 0.00 C ATOM 996 C VAL A 68 4.704 1.490 10.508 1.00 0.00 C ATOM 997 O VAL A 68 4.421 2.663 10.267 1.00 0.00 O ATOM 998 CB VAL A 68 3.153 -0.041 11.836 1.00 0.00 C ATOM 999 CG1 VAL A 68 3.159 1.131 12.820 1.00 0.00 C ATOM 1000 CG2 VAL A 68 1.768 -0.686 11.760 1.00 0.00 C ATOM 0 H VAL A 68 3.936 -1.644 10.132 1.00 0.00 H new ATOM 0 HA VAL A 68 2.760 0.832 9.948 1.00 0.00 H new ATOM 0 HB VAL A 68 3.852 -0.792 12.205 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.818 0.788 13.797 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.171 1.527 12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.493 1.914 12.458 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.455 -0.993 12.758 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.053 0.033 11.360 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.808 -1.558 11.108 1.00 0.00 H new ATOM 1010 N ASN A 69 5.916 1.060 10.827 1.00 0.00 N ATOM 1011 CA ASN A 69 7.036 1.981 10.919 1.00 0.00 C ATOM 1012 C ASN A 69 7.200 2.713 9.585 1.00 0.00 C ATOM 1013 O ASN A 69 7.101 3.937 9.528 1.00 0.00 O ATOM 1014 CB ASN A 69 8.339 1.235 11.213 1.00 0.00 C ATOM 1015 CG ASN A 69 8.123 0.147 12.266 1.00 0.00 C ATOM 1016 OD1 ASN A 69 7.564 0.375 13.326 1.00 0.00 O ATOM 1017 ND2 ASN A 69 8.597 -1.046 11.917 1.00 0.00 N ATOM 0 H ASN A 69 6.147 0.086 11.025 1.00 0.00 H new ATOM 0 HA ASN A 69 6.831 2.682 11.728 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.721 0.787 10.295 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.094 1.939 11.562 1.00 0.00 H new ATOM 0 HD21 ASN A 69 8.503 -1.838 12.553 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.055 -1.169 11.014 1.00 0.00 H new ATOM 1024 N ARG A 70 7.448 1.931 8.545 1.00 0.00 N ATOM 1025 CA ARG A 70 7.627 2.489 7.215 1.00 0.00 C ATOM 1026 C ARG A 70 6.436 3.376 6.848 1.00 0.00 C ATOM 1027 O ARG A 70 6.615 4.506 6.395 1.00 0.00 O ATOM 1028 CB ARG A 70 7.772 1.382 6.168 1.00 0.00 C ATOM 1029 CG ARG A 70 8.972 0.486 6.481 1.00 0.00 C ATOM 1030 CD ARG A 70 10.266 1.091 5.935 1.00 0.00 C ATOM 1031 NE ARG A 70 11.399 0.172 6.183 1.00 0.00 N ATOM 1032 CZ ARG A 70 11.741 -0.836 5.370 1.00 0.00 C ATOM 1033 NH1 ARG A 70 11.038 -1.062 4.251 1.00 0.00 N ATOM 1034 NH2 ARG A 70 12.784 -1.620 5.675 1.00 0.00 N ATOM 0 H ARG A 70 7.529 0.916 8.596 1.00 0.00 H new ATOM 0 HA ARG A 70 8.539 3.085 7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.863 0.782 6.140 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.892 1.825 5.179 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.057 0.350 7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.816 -0.501 6.046 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.167 1.278 4.866 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.456 2.053 6.411 1.00 0.00 H new ATOM 0 HE ARG A 70 11.955 0.315 7.026 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.243 -0.466 4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.298 -1.829 3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.318 -1.449 6.527 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.044 -2.387 5.055 1.00 0.00 H new ATOM 1048 N ALA A 71 5.247 2.831 7.055 1.00 0.00 N ATOM 1049 CA ALA A 71 4.026 3.559 6.751 1.00 0.00 C ATOM 1050 C ALA A 71 4.070 4.927 7.436 1.00 0.00 C ATOM 1051 O ALA A 71 3.826 5.951 6.800 1.00 0.00 O ATOM 1052 CB ALA A 71 2.816 2.729 7.183 1.00 0.00 C ATOM 0 H ALA A 71 5.102 1.893 7.430 1.00 0.00 H new ATOM 0 HA ALA A 71 3.937 3.730 5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.900 3.275 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.816 1.780 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.868 2.540 8.255 1.00 0.00 H new ATOM 1058 N ILE A 72 4.382 4.899 8.723 1.00 0.00 N ATOM 1059 CA ILE A 72 4.460 6.124 9.501 1.00 0.00 C ATOM 1060 C ILE A 72 5.312 7.148 8.747 1.00 0.00 C ATOM 1061 O ILE A 72 4.896 8.290 8.561 1.00 0.00 O ATOM 1062 CB ILE A 72 4.962 5.829 10.916 1.00 0.00 C ATOM 1063 CG1 ILE A 72 3.849 5.228 11.777 1.00 0.00 C ATOM 1064 CG2 ILE A 72 5.568 7.080 11.554 1.00 0.00 C ATOM 1065 CD1 ILE A 72 4.421 4.251 12.807 1.00 0.00 C ATOM 0 H ILE A 72 4.584 4.047 9.247 1.00 0.00 H new ATOM 0 HA ILE A 72 3.469 6.561 9.624 1.00 0.00 H new ATOM 0 HB ILE A 72 5.756 5.085 10.850 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.308 6.025 12.287 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.130 4.712 11.141 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.917 6.843 12.559 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.407 7.426 10.951 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.812 7.864 11.608 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.610 3.838 13.406 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.940 3.443 12.292 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.121 4.776 13.457 1.00 0.00 H new ATOM 1077 N ASN A 73 6.489 6.701 8.334 1.00 0.00 N ATOM 1078 CA ASN A 73 7.403 7.564 7.605 1.00 0.00 C ATOM 1079 C ASN A 73 6.674 8.174 6.406 1.00 0.00 C ATOM 1080 O ASN A 73 6.927 9.321 6.040 1.00 0.00 O ATOM 1081 CB ASN A 73 8.603 6.775 7.078 1.00 0.00 C ATOM 1082 CG ASN A 73 9.851 7.047 7.919 1.00 0.00 C ATOM 1083 OD1 ASN A 73 10.639 7.935 7.638 1.00 0.00 O ATOM 1084 ND2 ASN A 73 9.987 6.235 8.964 1.00 0.00 N ATOM 0 H ASN A 73 6.831 5.753 8.490 1.00 0.00 H new ATOM 0 HA ASN A 73 7.753 8.339 8.287 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.376 5.709 7.092 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.794 7.047 6.040 1.00 0.00 H new ATOM 0 HD21 ASN A 73 10.788 6.336 9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 73 9.290 5.512 9.142 1.00 0.00 H new ATOM 1091 N VAL A 74 5.784 7.381 5.829 1.00 0.00 N ATOM 1092 CA VAL A 74 5.017 7.829 4.679 1.00 0.00 C ATOM 1093 C VAL A 74 3.887 8.745 5.151 1.00 0.00 C ATOM 1094 O VAL A 74 3.775 9.883 4.697 1.00 0.00 O ATOM 1095 CB VAL A 74 4.516 6.623 3.882 1.00 0.00 C ATOM 1096 CG1 VAL A 74 3.798 7.069 2.607 1.00 0.00 C ATOM 1097 CG2 VAL A 74 5.664 5.664 3.558 1.00 0.00 C ATOM 0 H VAL A 74 5.577 6.431 6.136 1.00 0.00 H new ATOM 0 HA VAL A 74 5.645 8.410 4.003 1.00 0.00 H new ATOM 0 HB VAL A 74 3.797 6.087 4.502 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.452 6.193 2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.944 7.693 2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.486 7.639 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.280 4.816 2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.417 6.185 2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.113 5.308 4.485 1.00 0.00 H new ATOM 1107 N LEU A 75 3.077 8.215 6.056 1.00 0.00 N ATOM 1108 CA LEU A 75 1.959 8.971 6.594 1.00 0.00 C ATOM 1109 C LEU A 75 2.441 10.364 7.004 1.00 0.00 C ATOM 1110 O LEU A 75 1.942 11.370 6.502 1.00 0.00 O ATOM 1111 CB LEU A 75 1.285 8.195 7.728 1.00 0.00 C ATOM 1112 CG LEU A 75 0.243 7.158 7.304 1.00 0.00 C ATOM 1113 CD1 LEU A 75 0.160 6.018 8.321 1.00 0.00 C ATOM 1114 CD2 LEU A 75 -1.118 7.813 7.064 1.00 0.00 C ATOM 0 H LEU A 75 3.173 7.271 6.430 1.00 0.00 H new ATOM 0 HA LEU A 75 1.191 9.110 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.059 7.689 8.305 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.806 8.910 8.396 1.00 0.00 H new ATOM 0 HG LEU A 75 0.561 6.722 6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.588 5.294 7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.130 5.527 8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.122 6.419 9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.840 7.053 6.764 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.457 8.293 7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.028 8.560 6.275 1.00 0.00 H new ATOM 1126 N LEU A 76 3.406 10.378 7.912 1.00 0.00 N ATOM 1127 CA LEU A 76 3.961 11.631 8.395 1.00 0.00 C ATOM 1128 C LEU A 76 4.212 12.563 7.208 1.00 0.00 C ATOM 1129 O LEU A 76 3.592 13.620 7.102 1.00 0.00 O ATOM 1130 CB LEU A 76 5.204 11.373 9.249 1.00 0.00 C ATOM 1131 CG LEU A 76 4.954 10.760 10.628 1.00 0.00 C ATOM 1132 CD1 LEU A 76 6.264 10.291 11.265 1.00 0.00 C ATOM 1133 CD2 LEU A 76 4.194 11.732 11.531 1.00 0.00 C ATOM 0 H LEU A 76 3.818 9.542 8.326 1.00 0.00 H new ATOM 0 HA LEU A 76 3.251 12.134 9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.871 10.712 8.695 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.731 12.318 9.383 1.00 0.00 H new ATOM 0 HG LEU A 76 4.324 9.880 10.501 1.00 0.00 H new ATOM 0 HD11 LEU A 76 6.058 9.859 12.244 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.730 9.539 10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.938 11.140 11.377 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.030 11.271 12.505 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.777 12.645 11.655 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.233 11.974 11.077 1.00 0.00 H new ATOM 1145 N GLU A 77 5.123 12.138 6.345 1.00 0.00 N ATOM 1146 CA GLU A 77 5.465 12.921 5.170 1.00 0.00 C ATOM 1147 C GLU A 77 4.195 13.404 4.467 1.00 0.00 C ATOM 1148 O GLU A 77 3.911 14.600 4.444 1.00 0.00 O ATOM 1149 CB GLU A 77 6.350 12.118 4.214 1.00 0.00 C ATOM 1150 CG GLU A 77 7.803 12.590 4.286 1.00 0.00 C ATOM 1151 CD GLU A 77 8.513 12.386 2.946 1.00 0.00 C ATOM 1152 OE1 GLU A 77 8.158 11.404 2.259 1.00 0.00 O ATOM 1153 OE2 GLU A 77 9.393 13.218 2.638 1.00 0.00 O ATOM 0 H GLU A 77 5.635 11.261 6.436 1.00 0.00 H new ATOM 0 HA GLU A 77 6.034 13.794 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.295 11.059 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.980 12.224 3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.833 13.644 4.561 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.329 12.042 5.067 1.00 0.00 H new ATOM 1160 N GLY A 78 3.465 12.448 3.910 1.00 0.00 N ATOM 1161 CA GLY A 78 2.232 12.761 3.208 1.00 0.00 C ATOM 1162 C GLY A 78 2.504 13.075 1.736 1.00 0.00 C ATOM 1163 O GLY A 78 2.244 12.249 0.862 1.00 0.00 O ATOM 0 H GLY A 78 3.704 11.457 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.543 11.920 3.283 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.746 13.614 3.682 1.00 0.00 H new ATOM 1167 N ASN A 79 3.024 14.272 1.505 1.00 0.00 N ATOM 1168 CA ASN A 79 3.334 14.706 0.153 1.00 0.00 C ATOM 1169 C ASN A 79 4.814 15.085 0.071 1.00 0.00 C ATOM 1170 O ASN A 79 5.390 15.570 1.044 1.00 0.00 O ATOM 1171 CB ASN A 79 2.509 15.935 -0.234 1.00 0.00 C ATOM 1172 CG ASN A 79 1.527 15.603 -1.359 1.00 0.00 C ATOM 1173 OD1 ASN A 79 1.730 15.942 -2.514 1.00 0.00 O ATOM 1174 ND2 ASN A 79 0.456 14.925 -0.960 1.00 0.00 N ATOM 0 H ASN A 79 3.238 14.955 2.232 1.00 0.00 H new ATOM 0 HA ASN A 79 3.100 13.886 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.962 16.299 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 79 3.174 16.738 -0.552 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.259 14.656 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.349 14.673 0.023 1.00 0.00 H new ATOM 1181 N PRO A 80 5.404 14.843 -1.130 1.00 0.00 N ATOM 1182 CA PRO A 80 6.805 15.154 -1.353 1.00 0.00 C ATOM 1183 C PRO A 80 7.014 16.661 -1.515 1.00 0.00 C ATOM 1184 O PRO A 80 7.983 17.216 -0.999 1.00 0.00 O ATOM 1185 CB PRO A 80 7.192 14.364 -2.592 1.00 0.00 C ATOM 1186 CG PRO A 80 5.886 14.010 -3.285 1.00 0.00 C ATOM 1187 CD PRO A 80 4.753 14.269 -2.305 1.00 0.00 C ATOM 0 HA PRO A 80 7.436 14.878 -0.508 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.834 14.954 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.748 13.466 -2.325 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.757 14.611 -4.185 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.890 12.965 -3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.016 14.954 -2.724 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.226 13.348 -2.056 1.00 0.00 H new ATOM 1195 N ASP A 81 6.089 17.280 -2.233 1.00 0.00 N ATOM 1196 CA ASP A 81 6.160 18.712 -2.470 1.00 0.00 C ATOM 1197 C ASP A 81 4.799 19.211 -2.961 1.00 0.00 C ATOM 1198 O ASP A 81 4.641 19.537 -4.137 1.00 0.00 O ATOM 1199 CB ASP A 81 7.200 19.042 -3.542 1.00 0.00 C ATOM 1200 CG ASP A 81 8.629 19.215 -3.025 1.00 0.00 C ATOM 1201 OD1 ASP A 81 8.815 20.091 -2.153 1.00 0.00 O ATOM 1202 OD2 ASP A 81 9.503 18.466 -3.512 1.00 0.00 O ATOM 0 H ASP A 81 5.286 16.816 -2.659 1.00 0.00 H new ATOM 0 HA ASP A 81 6.441 19.195 -1.534 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.194 18.249 -4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.899 19.959 -4.048 1.00 0.00 H new ATOM 1207 N THR A 82 3.851 19.254 -2.037 1.00 0.00 N ATOM 1208 CA THR A 82 2.509 19.707 -2.361 1.00 0.00 C ATOM 1209 C THR A 82 2.465 21.235 -2.429 1.00 0.00 C ATOM 1210 O THR A 82 2.511 21.908 -1.401 1.00 0.00 O ATOM 1211 CB THR A 82 1.548 19.117 -1.328 1.00 0.00 C ATOM 1212 OG1 THR A 82 0.266 19.579 -1.743 1.00 0.00 O ATOM 1213 CG2 THR A 82 1.733 19.730 0.062 1.00 0.00 C ATOM 0 H THR A 82 3.986 18.982 -1.063 1.00 0.00 H new ATOM 0 HA THR A 82 2.201 19.359 -3.347 1.00 0.00 H new ATOM 0 HB THR A 82 1.694 18.038 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.418 19.241 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.026 19.276 0.757 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.750 19.547 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.554 20.804 0.013 1.00 0.00 H new ATOM 1221 N HIS A 83 2.376 21.739 -3.652 1.00 0.00 N ATOM 1222 CA HIS A 83 2.324 23.175 -3.868 1.00 0.00 C ATOM 1223 C HIS A 83 0.902 23.680 -3.620 1.00 0.00 C ATOM 1224 O HIS A 83 0.264 24.217 -4.525 1.00 0.00 O ATOM 1225 CB HIS A 83 2.847 23.534 -5.260 1.00 0.00 C ATOM 1226 CG HIS A 83 4.314 23.894 -5.291 1.00 0.00 C ATOM 1227 ND1 HIS A 83 4.765 25.202 -5.258 1.00 0.00 N ATOM 1228 CD2 HIS A 83 5.424 23.104 -5.351 1.00 0.00 C ATOM 1229 CE1 HIS A 83 6.089 25.188 -5.298 1.00 0.00 C ATOM 1230 NE2 HIS A 83 6.496 23.887 -5.356 1.00 0.00 N ATOM 0 H HIS A 83 2.339 21.178 -4.503 1.00 0.00 H new ATOM 0 HA HIS A 83 2.980 23.678 -3.157 1.00 0.00 H new ATOM 0 HB2 HIS A 83 2.676 22.691 -5.930 1.00 0.00 H new ATOM 0 HB3 HIS A 83 2.269 24.373 -5.649 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.430 22.025 -5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.733 26.055 -5.287 1.00 0.00 H new ATOM 0 HE2 HIS A 83 7.464 23.569 -5.397 1.00 0.00 H new ATOM 1238 N SER A 84 0.446 23.491 -2.391 1.00 0.00 N ATOM 1239 CA SER A 84 -0.890 23.921 -2.013 1.00 0.00 C ATOM 1240 C SER A 84 -0.936 24.230 -0.515 1.00 0.00 C ATOM 1241 O SER A 84 -0.147 23.689 0.258 1.00 0.00 O ATOM 1242 CB SER A 84 -1.931 22.858 -2.368 1.00 0.00 C ATOM 1243 OG SER A 84 -3.039 23.411 -3.075 1.00 0.00 O ATOM 0 H SER A 84 0.978 23.046 -1.643 1.00 0.00 H new ATOM 0 HA SER A 84 -1.129 24.826 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 84 -1.464 22.082 -2.975 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.286 22.379 -1.455 1.00 0.00 H new ATOM 0 HG SER A 84 -3.681 22.701 -3.285 1.00 0.00 H new ATOM 1249 N TRP A 85 -1.868 25.099 -0.151 1.00 0.00 N ATOM 1250 CA TRP A 85 -2.027 25.486 1.240 1.00 0.00 C ATOM 1251 C TRP A 85 -3.484 25.242 1.635 1.00 0.00 C ATOM 1252 O TRP A 85 -4.398 25.551 0.872 1.00 0.00 O ATOM 1253 CB TRP A 85 -1.583 26.933 1.460 1.00 0.00 C ATOM 1254 CG TRP A 85 -0.255 27.070 2.209 1.00 0.00 C ATOM 1255 CD1 TRP A 85 0.948 27.377 1.706 1.00 0.00 C ATOM 1256 CD2 TRP A 85 -0.045 26.891 3.626 1.00 0.00 C ATOM 1257 NE1 TRP A 85 1.915 27.408 2.691 1.00 0.00 N ATOM 1258 CE2 TRP A 85 1.291 27.104 3.895 1.00 0.00 C ATOM 1259 CE3 TRP A 85 -0.954 26.560 4.646 1.00 0.00 C ATOM 1260 CZ2 TRP A 85 1.839 27.009 5.180 1.00 0.00 C ATOM 1261 CZ3 TRP A 85 -0.391 26.469 5.924 1.00 0.00 C ATOM 1262 CH2 TRP A 85 0.952 26.680 6.212 1.00 0.00 C ATOM 0 H TRP A 85 -2.520 25.546 -0.795 1.00 0.00 H new ATOM 0 HA TRP A 85 -1.386 24.883 1.884 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -1.495 27.426 0.492 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -2.358 27.459 2.017 1.00 0.00 H new ATOM 0 HD1 TRP A 85 1.138 27.575 0.661 1.00 0.00 H new ATOM 0 HE1 TRP A 85 2.905 27.616 2.559 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -2.004 26.389 4.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 2.889 27.180 5.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -1.047 26.217 6.744 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.310 26.591 7.227 1.00 0.00 H new ATOM 1273 N GLU A 86 -3.656 24.688 2.826 1.00 0.00 N ATOM 1274 CA GLU A 86 -4.988 24.398 3.332 1.00 0.00 C ATOM 1275 C GLU A 86 -5.149 24.951 4.749 1.00 0.00 C ATOM 1276 O GLU A 86 -4.187 25.436 5.344 1.00 0.00 O ATOM 1277 CB GLU A 86 -5.273 22.896 3.294 1.00 0.00 C ATOM 1278 CG GLU A 86 -4.447 22.153 4.346 1.00 0.00 C ATOM 1279 CD GLU A 86 -5.026 20.764 4.618 1.00 0.00 C ATOM 1280 OE1 GLU A 86 -5.570 20.177 3.657 1.00 0.00 O ATOM 1281 OE2 GLU A 86 -4.913 20.319 5.781 1.00 0.00 O ATOM 0 H GLU A 86 -2.896 24.432 3.456 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.716 24.889 2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.334 22.719 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.044 22.504 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -3.416 22.060 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -4.426 22.730 5.271 1.00 0.00 H new ATOM 1288 N MET A 87 -6.372 24.860 5.250 1.00 0.00 N ATOM 1289 CA MET A 87 -6.672 25.345 6.586 1.00 0.00 C ATOM 1290 C MET A 87 -7.971 24.733 7.114 1.00 0.00 C ATOM 1291 O MET A 87 -9.001 24.779 6.442 1.00 0.00 O ATOM 1292 CB MET A 87 -6.800 26.870 6.559 1.00 0.00 C ATOM 1293 CG MET A 87 -6.259 27.489 7.850 1.00 0.00 C ATOM 1294 SD MET A 87 -7.318 28.825 8.377 1.00 0.00 S ATOM 1295 CE MET A 87 -6.176 29.742 9.397 1.00 0.00 C ATOM 0 H MET A 87 -7.167 24.457 4.754 1.00 0.00 H new ATOM 0 HA MET A 87 -5.859 25.051 7.249 1.00 0.00 H new ATOM 0 HB2 MET A 87 -6.255 27.269 5.704 1.00 0.00 H new ATOM 0 HB3 MET A 87 -7.846 27.148 6.428 1.00 0.00 H new ATOM 0 HG2 MET A 87 -6.201 26.730 8.630 1.00 0.00 H new ATOM 0 HG3 MET A 87 -5.246 27.859 7.689 1.00 0.00 H new ATOM 0 HE1 MET A 87 -6.678 30.617 9.809 1.00 0.00 H new ATOM 0 HE2 MET A 87 -5.825 29.108 10.211 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.326 30.062 8.794 1.00 0.00 H new ATOM 1305 N VAL A 88 -7.881 24.173 8.311 1.00 0.00 N ATOM 1306 CA VAL A 88 -9.036 23.552 8.936 1.00 0.00 C ATOM 1307 C VAL A 88 -9.080 23.939 10.415 1.00 0.00 C ATOM 1308 O VAL A 88 -8.040 24.163 11.034 1.00 0.00 O ATOM 1309 CB VAL A 88 -9.000 22.038 8.715 1.00 0.00 C ATOM 1310 CG1 VAL A 88 -10.084 21.338 9.537 1.00 0.00 C ATOM 1311 CG2 VAL A 88 -9.132 21.697 7.230 1.00 0.00 C ATOM 0 H VAL A 88 -7.025 24.136 8.865 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.957 23.912 8.478 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.032 21.673 9.057 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.036 20.263 9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.925 21.540 10.596 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.064 21.711 9.240 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.103 20.615 7.101 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -10.078 22.083 6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.308 22.150 6.678 1.00 0.00 H new ATOM 1321 N GLY A 89 -10.295 24.007 10.941 1.00 0.00 N ATOM 1322 CA GLY A 89 -10.488 24.364 12.336 1.00 0.00 C ATOM 1323 C GLY A 89 -11.965 24.626 12.635 1.00 0.00 C ATOM 1324 O GLY A 89 -12.814 23.772 12.385 1.00 0.00 O ATOM 0 H GLY A 89 -11.155 23.821 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.121 23.561 12.975 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.902 25.252 12.572 1.00 0.00 H new ATOM 1328 N LYS A 90 -12.227 25.811 13.167 1.00 0.00 N ATOM 1329 CA LYS A 90 -13.587 26.197 13.503 1.00 0.00 C ATOM 1330 C LYS A 90 -14.135 25.242 14.566 1.00 0.00 C ATOM 1331 O LYS A 90 -13.681 24.105 14.677 1.00 0.00 O ATOM 1332 CB LYS A 90 -14.449 26.273 12.242 1.00 0.00 C ATOM 1333 CG LYS A 90 -14.155 27.552 11.454 1.00 0.00 C ATOM 1334 CD LYS A 90 -15.452 28.252 11.042 1.00 0.00 C ATOM 1335 CE LYS A 90 -15.753 29.435 11.965 1.00 0.00 C ATOM 1336 NZ LYS A 90 -17.210 29.556 12.194 1.00 0.00 N ATOM 0 H LYS A 90 -11.520 26.517 13.374 1.00 0.00 H new ATOM 0 HA LYS A 90 -13.604 27.198 13.934 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.259 25.403 11.614 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -15.504 26.244 12.516 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.550 28.226 12.060 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.570 27.310 10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.370 28.601 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.279 27.542 11.073 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.239 29.301 12.917 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -15.371 30.355 11.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.397 30.363 12.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -17.693 29.705 11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.566 28.684 12.636 1.00 0.00 H new ATOM 1350 N LYS A 91 -15.103 25.741 15.320 1.00 0.00 N ATOM 1351 CA LYS A 91 -15.718 24.947 16.370 1.00 0.00 C ATOM 1352 C LYS A 91 -14.714 24.746 17.507 1.00 0.00 C ATOM 1353 O LYS A 91 -13.555 24.413 17.265 1.00 0.00 O ATOM 1354 CB LYS A 91 -16.269 23.638 15.799 1.00 0.00 C ATOM 1355 CG LYS A 91 -17.772 23.516 16.061 1.00 0.00 C ATOM 1356 CD LYS A 91 -18.159 22.068 16.367 1.00 0.00 C ATOM 1357 CE LYS A 91 -18.891 21.967 17.707 1.00 0.00 C ATOM 1358 NZ LYS A 91 -20.349 21.839 17.493 1.00 0.00 N ATOM 0 H LYS A 91 -15.477 26.685 15.225 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.576 25.472 16.790 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.078 23.596 14.727 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -15.748 22.793 16.249 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.052 24.156 16.898 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.326 23.868 15.191 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -18.796 21.682 15.571 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.264 21.446 16.390 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.523 21.106 18.265 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.682 22.851 18.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.830 21.772 18.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -20.699 22.673 16.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -20.544 20.982 16.936 1.00 0.00 H new ATOM 1372 N LYS A 92 -15.195 24.959 18.723 1.00 0.00 N ATOM 1373 CA LYS A 92 -14.354 24.806 19.898 1.00 0.00 C ATOM 1374 C LYS A 92 -15.113 24.014 20.964 1.00 0.00 C ATOM 1375 O LYS A 92 -16.326 23.836 20.864 1.00 0.00 O ATOM 1376 CB LYS A 92 -13.857 26.170 20.382 1.00 0.00 C ATOM 1377 CG LYS A 92 -12.642 26.630 19.574 1.00 0.00 C ATOM 1378 CD LYS A 92 -12.714 28.129 19.280 1.00 0.00 C ATOM 1379 CE LYS A 92 -11.314 28.724 19.115 1.00 0.00 C ATOM 1380 NZ LYS A 92 -11.192 29.406 17.807 1.00 0.00 N ATOM 0 H LYS A 92 -16.157 25.236 18.920 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.459 24.234 19.654 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -14.657 26.905 20.293 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.595 26.111 21.438 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.729 26.408 20.126 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -12.592 26.074 18.638 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.294 28.298 18.373 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.236 28.637 20.091 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -11.116 29.431 19.920 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -10.566 27.935 19.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -10.236 29.804 17.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.361 28.722 17.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.893 30.172 17.748 1.00 0.00 H new ATOM 1394 N GLY A 93 -14.368 23.560 21.961 1.00 0.00 N ATOM 1395 CA GLY A 93 -14.956 22.791 23.045 1.00 0.00 C ATOM 1396 C GLY A 93 -15.879 23.663 23.898 1.00 0.00 C ATOM 1397 O GLY A 93 -16.570 24.537 23.376 1.00 0.00 O ATOM 0 H GLY A 93 -13.362 23.710 22.041 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.518 21.951 22.637 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.166 22.373 23.669 1.00 0.00 H new ATOM 1401 N VAL A 94 -15.861 23.396 25.195 1.00 0.00 N ATOM 1402 CA VAL A 94 -16.688 24.145 26.125 1.00 0.00 C ATOM 1403 C VAL A 94 -15.858 24.513 27.357 1.00 0.00 C ATOM 1404 O VAL A 94 -14.795 23.938 27.588 1.00 0.00 O ATOM 1405 CB VAL A 94 -17.946 23.345 26.469 1.00 0.00 C ATOM 1406 CG1 VAL A 94 -17.603 22.128 27.331 1.00 0.00 C ATOM 1407 CG2 VAL A 94 -18.987 24.229 27.158 1.00 0.00 C ATOM 0 H VAL A 94 -15.286 22.671 25.624 1.00 0.00 H new ATOM 0 HA VAL A 94 -17.026 25.076 25.670 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.379 22.984 25.536 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.515 21.577 27.561 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -16.915 21.480 26.788 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -17.135 22.459 28.258 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.871 23.636 27.392 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.568 24.634 28.079 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -19.265 25.048 26.495 1.00 0.00 H new ATOM 1417 N SER A 95 -16.375 25.468 28.116 1.00 0.00 N ATOM 1418 CA SER A 95 -15.695 25.919 29.318 1.00 0.00 C ATOM 1419 C SER A 95 -16.159 25.096 30.522 1.00 0.00 C ATOM 1420 O SER A 95 -17.103 24.315 30.417 1.00 0.00 O ATOM 1421 CB SER A 95 -15.944 27.408 29.566 1.00 0.00 C ATOM 1422 OG SER A 95 -14.994 28.228 28.890 1.00 0.00 O ATOM 0 H SER A 95 -17.257 25.942 27.922 1.00 0.00 H new ATOM 0 HA SER A 95 -14.624 25.776 29.179 1.00 0.00 H new ATOM 0 HB2 SER A 95 -16.949 27.668 29.233 1.00 0.00 H new ATOM 0 HB3 SER A 95 -15.900 27.610 30.636 1.00 0.00 H new ATOM 0 HG SER A 95 -15.188 29.171 29.072 1.00 0.00 H new ATOM 1428 N GLY A 96 -15.474 25.300 31.637 1.00 0.00 N ATOM 1429 CA GLY A 96 -15.804 24.587 32.859 1.00 0.00 C ATOM 1430 C GLY A 96 -15.005 25.131 34.045 1.00 0.00 C ATOM 1431 O GLY A 96 -13.806 25.380 33.928 1.00 0.00 O ATOM 0 H GLY A 96 -14.692 25.949 31.720 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -16.871 24.680 33.062 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.595 23.525 32.732 1.00 0.00 H new ATOM 1435 N GLN A 97 -15.701 25.301 35.159 1.00 0.00 N ATOM 1436 CA GLN A 97 -15.071 25.811 36.365 1.00 0.00 C ATOM 1437 C GLN A 97 -15.805 25.298 37.605 1.00 0.00 C ATOM 1438 O GLN A 97 -16.887 24.721 37.497 1.00 0.00 O ATOM 1439 CB GLN A 97 -15.019 27.340 36.352 1.00 0.00 C ATOM 1440 CG GLN A 97 -13.824 27.841 35.538 1.00 0.00 C ATOM 1441 CD GLN A 97 -13.571 29.328 35.794 1.00 0.00 C ATOM 1442 OE1 GLN A 97 -12.579 29.722 36.385 1.00 0.00 O ATOM 1443 NE2 GLN A 97 -14.520 30.128 35.317 1.00 0.00 N ATOM 0 H GLN A 97 -16.696 25.095 35.252 1.00 0.00 H new ATOM 0 HA GLN A 97 -14.045 25.446 36.397 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.943 27.735 35.930 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.950 27.714 37.374 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.935 27.267 35.799 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -14.008 27.677 34.476 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -15.325 29.732 34.832 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -14.443 31.138 35.436 1.00 0.00 H new ATOM 1452 N LYS A 98 -15.189 25.527 38.756 1.00 0.00 N ATOM 1453 CA LYS A 98 -15.771 25.095 40.015 1.00 0.00 C ATOM 1454 C LYS A 98 -15.058 25.801 41.170 1.00 0.00 C ATOM 1455 O LYS A 98 -14.084 26.522 40.955 1.00 0.00 O ATOM 1456 CB LYS A 98 -15.749 23.569 40.120 1.00 0.00 C ATOM 1457 CG LYS A 98 -14.323 23.055 40.333 1.00 0.00 C ATOM 1458 CD LYS A 98 -14.325 21.566 40.688 1.00 0.00 C ATOM 1459 CE LYS A 98 -13.445 20.771 39.721 1.00 0.00 C ATOM 1460 NZ LYS A 98 -13.986 20.848 38.345 1.00 0.00 N ATOM 0 H LYS A 98 -14.293 26.006 38.843 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.822 25.380 40.066 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -16.382 23.249 40.947 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -16.165 23.132 39.212 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.735 23.216 39.429 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.843 23.622 41.131 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -13.965 21.431 41.708 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.345 21.182 40.657 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.428 21.162 39.741 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -13.393 19.730 40.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.674 20.017 37.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -15.025 20.868 38.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.639 21.713 37.884 1.00 0.00 H new ATOM 1474 N SER A 99 -15.571 25.571 42.370 1.00 0.00 N ATOM 1475 CA SER A 99 -14.995 26.176 43.559 1.00 0.00 C ATOM 1476 C SER A 99 -14.334 25.102 44.425 1.00 0.00 C ATOM 1477 O SER A 99 -14.969 24.112 44.785 1.00 0.00 O ATOM 1478 CB SER A 99 -16.058 26.927 44.363 1.00 0.00 C ATOM 1479 OG SER A 99 -16.934 26.039 45.051 1.00 0.00 O ATOM 0 H SER A 99 -16.379 24.974 42.544 1.00 0.00 H new ATOM 0 HA SER A 99 -14.239 26.896 43.245 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.571 27.585 45.082 1.00 0.00 H new ATOM 0 HB3 SER A 99 -16.638 27.561 43.693 1.00 0.00 H new ATOM 0 HG SER A 99 -16.572 25.129 45.015 1.00 0.00 H new ATOM 1485 N GLY A 100 -13.067 25.334 44.734 1.00 0.00 N ATOM 1486 CA GLY A 100 -12.313 24.399 45.551 1.00 0.00 C ATOM 1487 C GLY A 100 -12.131 23.063 44.829 1.00 0.00 C ATOM 1488 O GLY A 100 -12.904 22.726 43.934 1.00 0.00 O ATOM 0 H GLY A 100 -12.543 26.156 44.433 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.338 24.823 45.789 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -12.830 24.238 46.497 1.00 0.00 H new ATOM 1492 N PRO A 101 -11.076 22.318 45.256 1.00 0.00 N ATOM 1493 CA PRO A 101 -10.783 21.025 44.660 1.00 0.00 C ATOM 1494 C PRO A 101 -11.773 19.962 45.140 1.00 0.00 C ATOM 1495 O PRO A 101 -12.554 20.206 46.058 1.00 0.00 O ATOM 1496 CB PRO A 101 -9.348 20.724 45.060 1.00 0.00 C ATOM 1497 CG PRO A 101 -9.046 21.630 46.243 1.00 0.00 C ATOM 1498 CD PRO A 101 -10.139 22.684 46.313 1.00 0.00 C ATOM 0 HA PRO A 101 -10.888 21.029 43.575 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -9.230 19.675 45.331 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -8.663 20.918 44.234 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.012 21.053 47.167 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.070 22.100 46.125 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.624 22.687 47.289 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -9.735 23.684 46.155 1.00 0.00 H new ATOM 1506 N SER A 102 -11.707 18.805 44.498 1.00 0.00 N ATOM 1507 CA SER A 102 -12.588 17.704 44.848 1.00 0.00 C ATOM 1508 C SER A 102 -11.953 16.375 44.435 1.00 0.00 C ATOM 1509 O SER A 102 -11.693 15.518 45.279 1.00 0.00 O ATOM 1510 CB SER A 102 -13.960 17.865 44.189 1.00 0.00 C ATOM 1511 OG SER A 102 -15.024 17.647 45.111 1.00 0.00 O ATOM 0 H SER A 102 -11.057 18.606 43.737 1.00 0.00 H new ATOM 0 HA SER A 102 -12.732 17.711 45.928 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.045 18.867 43.768 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.049 17.163 43.360 1.00 0.00 H new ATOM 0 HG SER A 102 -15.883 17.761 44.652 1.00 0.00 H new ATOM 1517 N SER A 103 -11.722 16.243 43.137 1.00 0.00 N ATOM 1518 CA SER A 103 -11.123 15.033 42.603 1.00 0.00 C ATOM 1519 C SER A 103 -9.613 15.043 42.849 1.00 0.00 C ATOM 1520 O SER A 103 -9.073 14.121 43.459 1.00 0.00 O ATOM 1521 CB SER A 103 -11.415 14.887 41.108 1.00 0.00 C ATOM 1522 OG SER A 103 -12.094 13.669 40.813 1.00 0.00 O ATOM 0 H SER A 103 -11.939 16.955 42.440 1.00 0.00 H new ATOM 0 HA SER A 103 -11.563 14.179 43.117 1.00 0.00 H new ATOM 0 HB2 SER A 103 -12.020 15.730 40.773 1.00 0.00 H new ATOM 0 HB3 SER A 103 -10.479 14.925 40.550 1.00 0.00 H new ATOM 0 HG SER A 103 -12.264 13.614 39.849 1.00 0.00 H new ATOM 1528 N GLY A 104 -8.973 16.097 42.362 1.00 0.00 N ATOM 1529 CA GLY A 104 -7.536 16.240 42.522 1.00 0.00 C ATOM 1530 C GLY A 104 -7.198 16.930 43.845 1.00 0.00 C ATOM 1531 O GLY A 104 -6.638 18.025 43.852 1.00 0.00 O ATOM 0 H GLY A 104 -9.424 16.860 41.857 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.063 15.258 42.488 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -7.130 16.818 41.692 1.00 0.00 H new TER 1535 GLY A 104