USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 90 THR OG1 : rot 135:sc= 0.333 USER MOD Set 1.2: A 92 THR OG1 : rot 86:sc= 0.127 USER MOD Set 2.1: A 11 TYR OH : rot -30:sc= 0.00038 USER MOD Set 2.2: A 63 SER OG : rot 73:sc= 0.717 USER MOD Set 3.1: A 37 THR OG1 : rot 2:sc= 1.01 USER MOD Set 3.2: A 40 HIS : no HD1:sc= -1.57! C(o=-0.56!,f=-3.6!) USER MOD Set 4.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 57 GLN : amide:sc= -5.32 K(o=-5.3,f=-9.5!) USER MOD Set 5.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 15 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.032) USER MOD Set 6.1: A 5 THR OG1 : rot 180:sc= 0.0451 USER MOD Set 6.2: A 103 SER OG : rot 179:sc= 0 USER MOD Single : A 2 SER OG : rot 37:sc= 0.0824 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.38 K(o=0.38,f=-4.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc=-0.00165 X(o=-0.0017,f=-0.0017) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0.653 F(o=-0.17,f=0.65) USER MOD Single : A 29 ASN : amide:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 32 THR OG1 : rot -105:sc= 0.392 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0133 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 44 ASN : amide:sc= -0.587 X(o=-0.59,f=-0.36) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -168:sc=-0.00049 (180deg=-0.132) USER MOD Single : A 67 TYR OH : rot 107:sc= 0.828 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0.0732 K(o=0.073,f=-2.5!) USER MOD Single : A 81 THR OG1 : rot -52:sc= 0.574 USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 150:sc= -0.146 USER MOD Single : A 91 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1.9) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc=-0.00433 X(o=-0.0043,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.45 K(o=-0.45,f=-1.4) USER MOD Single : A 105 THR OG1 : rot -120:sc= 0.2 USER MOD Single : A 106 ASN : amide:sc= -0.0276 X(o=-0.028,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.177 12.544 -6.342 1.00 0.00 N ATOM 16 CA SER A 2 6.598 12.759 -6.093 1.00 0.00 C ATOM 17 C SER A 2 6.807 14.133 -5.454 1.00 0.00 C ATOM 18 O SER A 2 5.915 14.979 -5.502 1.00 0.00 O ATOM 19 CB SER A 2 7.369 12.654 -7.414 1.00 0.00 C ATOM 20 OG SER A 2 7.202 11.374 -7.985 1.00 0.00 O ATOM 0 HA SER A 2 6.971 11.998 -5.408 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.017 13.417 -8.109 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.428 12.845 -7.240 1.00 0.00 H new ATOM 0 HG SER A 2 6.286 11.063 -7.829 1.00 0.00 H new ATOM 26 N ALA A 3 7.986 14.345 -4.851 1.00 0.00 N ATOM 27 CA ALA A 3 8.368 15.595 -4.203 1.00 0.00 C ATOM 28 C ALA A 3 8.271 16.746 -5.201 1.00 0.00 C ATOM 29 O ALA A 3 8.890 16.701 -6.263 1.00 0.00 O ATOM 30 CB ALA A 3 9.783 15.469 -3.631 1.00 0.00 C ATOM 0 H ALA A 3 8.713 13.631 -4.803 1.00 0.00 H new ATOM 0 HA ALA A 3 7.687 15.806 -3.379 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.065 16.405 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.809 14.661 -2.900 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.483 15.252 -4.437 1.00 0.00 H new ATOM 36 N THR A 4 7.498 17.779 -4.842 1.00 0.00 N ATOM 37 CA THR A 4 7.268 18.938 -5.688 1.00 0.00 C ATOM 38 C THR A 4 8.290 20.049 -5.483 1.00 0.00 C ATOM 39 O THR A 4 8.039 21.007 -4.752 1.00 0.00 O ATOM 40 CB THR A 4 5.827 19.451 -5.519 1.00 0.00 C ATOM 41 OG1 THR A 4 5.420 19.366 -4.178 1.00 0.00 O ATOM 42 CG2 THR A 4 4.857 18.651 -6.386 1.00 0.00 C ATOM 0 H THR A 4 7.014 17.826 -3.946 1.00 0.00 H new ATOM 0 HA THR A 4 7.402 18.608 -6.718 1.00 0.00 H new ATOM 0 HB THR A 4 5.814 20.494 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.502 19.699 -4.093 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.846 19.033 -6.248 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.142 18.747 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 4 4.891 17.601 -6.096 1.00 0.00 H new ATOM 50 N THR A 5 9.457 19.903 -6.120 1.00 0.00 N ATOM 51 CA THR A 5 10.512 20.893 -6.114 1.00 0.00 C ATOM 52 C THR A 5 10.094 21.884 -7.194 1.00 0.00 C ATOM 53 O THR A 5 10.402 21.725 -8.373 1.00 0.00 O ATOM 54 CB THR A 5 11.892 20.262 -6.357 1.00 0.00 C ATOM 55 OG1 THR A 5 11.841 18.850 -6.456 1.00 0.00 O ATOM 56 CG2 THR A 5 12.720 20.637 -5.141 1.00 0.00 C ATOM 0 H THR A 5 9.688 19.071 -6.663 1.00 0.00 H new ATOM 0 HA THR A 5 10.629 21.386 -5.149 1.00 0.00 H new ATOM 0 HB THR A 5 12.304 20.622 -7.300 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.743 18.500 -6.612 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.722 20.221 -5.241 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.784 21.722 -5.065 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.249 20.237 -4.243 1.00 0.00 H new ATOM 64 N CYS A 6 9.370 22.910 -6.748 1.00 0.00 N ATOM 65 CA CYS A 6 8.806 23.965 -7.570 1.00 0.00 C ATOM 66 C CYS A 6 9.690 25.207 -7.475 1.00 0.00 C ATOM 67 O CYS A 6 9.374 26.154 -6.756 1.00 0.00 O ATOM 68 CB CYS A 6 7.361 24.184 -7.100 1.00 0.00 C ATOM 69 SG CYS A 6 6.060 23.406 -8.103 1.00 0.00 S ATOM 0 H CYS A 6 9.154 23.028 -5.758 1.00 0.00 H new ATOM 0 HA CYS A 6 8.776 23.706 -8.628 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.274 23.813 -6.079 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.171 25.257 -7.066 1.00 0.00 H new ATOM 74 N GLY A 7 10.802 25.184 -8.223 1.00 0.00 N ATOM 75 CA GLY A 7 11.787 26.252 -8.272 1.00 0.00 C ATOM 76 C GLY A 7 12.642 26.227 -7.007 1.00 0.00 C ATOM 77 O GLY A 7 13.822 25.885 -7.056 1.00 0.00 O ATOM 0 H GLY A 7 11.040 24.395 -8.825 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.420 26.135 -9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.287 27.216 -8.365 1.00 0.00 H new ATOM 81 N SER A 8 12.025 26.604 -5.881 1.00 0.00 N ATOM 82 CA SER A 8 12.629 26.650 -4.558 1.00 0.00 C ATOM 83 C SER A 8 11.683 26.110 -3.479 1.00 0.00 C ATOM 84 O SER A 8 12.160 25.509 -2.518 1.00 0.00 O ATOM 85 CB SER A 8 13.080 28.080 -4.251 1.00 0.00 C ATOM 86 OG SER A 8 11.978 28.964 -4.260 1.00 0.00 O ATOM 0 H SER A 8 11.048 26.897 -5.874 1.00 0.00 H new ATOM 0 HA SER A 8 13.502 25.998 -4.552 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.570 28.111 -3.278 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.816 28.401 -4.988 1.00 0.00 H new ATOM 0 HG SER A 8 12.286 29.873 -4.060 1.00 0.00 H new ATOM 92 N THR A 9 10.362 26.321 -3.618 1.00 0.00 N ATOM 93 CA THR A 9 9.377 25.834 -2.659 1.00 0.00 C ATOM 94 C THR A 9 9.283 24.318 -2.851 1.00 0.00 C ATOM 95 O THR A 9 8.537 23.828 -3.700 1.00 0.00 O ATOM 96 CB THR A 9 8.026 26.554 -2.832 1.00 0.00 C ATOM 97 OG1 THR A 9 8.237 27.934 -3.051 1.00 0.00 O ATOM 98 CG2 THR A 9 7.165 26.392 -1.569 1.00 0.00 C ATOM 0 H THR A 9 9.956 26.834 -4.400 1.00 0.00 H new ATOM 0 HA THR A 9 9.678 26.050 -1.634 1.00 0.00 H new ATOM 0 HB THR A 9 7.515 26.111 -3.687 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.373 28.383 -3.162 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.214 26.907 -1.708 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.981 25.333 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.688 26.821 -0.715 1.00 0.00 H new ATOM 106 N ASN A 10 10.070 23.593 -2.051 1.00 0.00 N ATOM 107 CA ASN A 10 10.187 22.146 -2.060 1.00 0.00 C ATOM 108 C ASN A 10 9.310 21.474 -1.009 1.00 0.00 C ATOM 109 O ASN A 10 9.535 21.647 0.188 1.00 0.00 O ATOM 110 CB ASN A 10 11.668 21.750 -1.911 1.00 0.00 C ATOM 111 CG ASN A 10 12.377 22.257 -0.651 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.938 23.202 0.002 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.501 21.620 -0.308 1.00 0.00 N ATOM 0 H ASN A 10 10.668 24.027 -1.348 1.00 0.00 H new ATOM 0 HA ASN A 10 9.817 21.784 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.736 20.662 -1.929 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.211 22.118 -2.782 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.022 21.914 0.518 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.837 20.840 -0.872 1.00 0.00 H new ATOM 120 N TYR A 11 8.301 20.714 -1.462 1.00 0.00 N ATOM 121 CA TYR A 11 7.406 19.973 -0.578 1.00 0.00 C ATOM 122 C TYR A 11 7.718 18.482 -0.747 1.00 0.00 C ATOM 123 O TYR A 11 8.032 18.037 -1.852 1.00 0.00 O ATOM 124 CB TYR A 11 5.924 20.219 -0.890 1.00 0.00 C ATOM 125 CG TYR A 11 5.471 21.628 -1.237 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.674 22.113 -2.540 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.843 22.451 -0.285 1.00 0.00 C ATOM 128 CE1 TYR A 11 5.247 23.397 -2.898 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.412 23.743 -0.644 1.00 0.00 C ATOM 130 CZ TYR A 11 4.603 24.211 -1.955 1.00 0.00 C ATOM 131 OH TYR A 11 4.173 25.454 -2.314 1.00 0.00 O ATOM 0 H TYR A 11 8.088 20.600 -2.453 1.00 0.00 H new ATOM 0 HA TYR A 11 7.572 20.312 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.650 19.570 -1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.346 19.890 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 11 6.164 21.489 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.691 22.092 0.722 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.414 23.761 -3.901 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.934 24.375 0.090 1.00 0.00 H new ATOM 0 HH TYR A 11 4.757 25.812 -3.015 1.00 0.00 H new ATOM 141 N SER A 12 7.619 17.711 0.342 1.00 0.00 N ATOM 142 CA SER A 12 7.862 16.276 0.354 1.00 0.00 C ATOM 143 C SER A 12 6.804 15.578 -0.467 1.00 0.00 C ATOM 144 O SER A 12 5.698 16.096 -0.593 1.00 0.00 O ATOM 145 CB SER A 12 7.809 15.765 1.797 1.00 0.00 C ATOM 146 OG SER A 12 8.785 16.409 2.589 1.00 0.00 O ATOM 0 H SER A 12 7.362 18.082 1.257 1.00 0.00 H new ATOM 0 HA SER A 12 8.844 16.069 -0.071 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.818 15.943 2.215 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.973 14.688 1.813 1.00 0.00 H new ATOM 0 HG SER A 12 8.735 16.072 3.508 1.00 0.00 H new ATOM 152 N ALA A 13 7.159 14.414 -1.032 1.00 0.00 N ATOM 153 CA ALA A 13 6.234 13.587 -1.794 1.00 0.00 C ATOM 154 C ALA A 13 5.022 13.306 -0.894 1.00 0.00 C ATOM 155 O ALA A 13 3.918 13.054 -1.377 1.00 0.00 O ATOM 156 CB ALA A 13 6.926 12.280 -2.193 1.00 0.00 C ATOM 0 H ALA A 13 8.100 14.026 -0.968 1.00 0.00 H new ATOM 0 HA ALA A 13 5.914 14.090 -2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.233 11.661 -2.763 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.801 12.503 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.237 11.744 -1.296 1.00 0.00 H new ATOM 162 N SER A 14 5.258 13.376 0.429 1.00 0.00 N ATOM 163 CA SER A 14 4.267 13.164 1.466 1.00 0.00 C ATOM 164 C SER A 14 3.293 14.344 1.494 1.00 0.00 C ATOM 165 O SER A 14 2.089 14.129 1.590 1.00 0.00 O ATOM 166 CB SER A 14 4.974 13.002 2.816 1.00 0.00 C ATOM 167 OG SER A 14 4.028 12.792 3.842 1.00 0.00 O ATOM 0 H SER A 14 6.182 13.590 0.805 1.00 0.00 H new ATOM 0 HA SER A 14 3.699 12.257 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.667 12.161 2.773 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.565 13.891 3.034 1.00 0.00 H new ATOM 0 HG SER A 14 4.492 12.689 4.699 1.00 0.00 H new ATOM 173 N GLN A 15 3.807 15.580 1.401 1.00 0.00 N ATOM 174 CA GLN A 15 3.000 16.792 1.430 1.00 0.00 C ATOM 175 C GLN A 15 2.177 17.016 0.163 1.00 0.00 C ATOM 176 O GLN A 15 1.103 17.614 0.245 1.00 0.00 O ATOM 177 CB GLN A 15 3.861 18.017 1.778 1.00 0.00 C ATOM 178 CG GLN A 15 3.901 18.281 3.290 1.00 0.00 C ATOM 179 CD GLN A 15 4.530 17.137 4.082 1.00 0.00 C ATOM 180 OE1 GLN A 15 3.835 16.212 4.497 1.00 0.00 O ATOM 181 NE2 GLN A 15 5.844 17.203 4.303 1.00 0.00 N ATOM 0 H GLN A 15 4.806 15.759 1.303 1.00 0.00 H new ATOM 0 HA GLN A 15 2.267 16.650 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.875 17.864 1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.466 18.895 1.267 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.462 19.196 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.886 18.449 3.650 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.383 17.989 3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.309 16.467 4.835 1.00 0.00 H new ATOM 190 N VAL A 16 2.643 16.544 -1.000 1.00 0.00 N ATOM 191 CA VAL A 16 1.914 16.702 -2.245 1.00 0.00 C ATOM 192 C VAL A 16 0.721 15.752 -2.163 1.00 0.00 C ATOM 193 O VAL A 16 -0.403 16.132 -2.484 1.00 0.00 O ATOM 194 CB VAL A 16 2.793 16.381 -3.454 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.265 17.118 -4.682 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.260 16.740 -3.241 1.00 0.00 C ATOM 0 H VAL A 16 3.529 16.047 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 16 1.589 17.734 -2.377 1.00 0.00 H new ATOM 0 HB VAL A 16 2.745 15.302 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.893 16.888 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.242 16.801 -4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.282 18.192 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.830 16.488 -4.135 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.348 17.808 -3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.652 16.181 -2.391 1.00 0.00 H new ATOM 206 N ARG A 17 0.990 14.514 -1.713 1.00 0.00 N ATOM 207 CA ARG A 17 -0.002 13.469 -1.549 1.00 0.00 C ATOM 208 C ARG A 17 -0.988 13.792 -0.429 1.00 0.00 C ATOM 209 O ARG A 17 -2.143 13.411 -0.536 1.00 0.00 O ATOM 210 CB ARG A 17 0.686 12.118 -1.303 1.00 0.00 C ATOM 211 CG ARG A 17 -0.330 10.969 -1.374 1.00 0.00 C ATOM 212 CD ARG A 17 0.339 9.613 -1.137 1.00 0.00 C ATOM 213 NE ARG A 17 -0.615 8.509 -1.315 1.00 0.00 N ATOM 214 CZ ARG A 17 -1.603 8.178 -0.466 1.00 0.00 C ATOM 215 NH1 ARG A 17 -1.792 8.838 0.687 1.00 0.00 N ATOM 216 NH2 ARG A 17 -2.421 7.163 -0.780 1.00 0.00 N ATOM 0 H ARG A 17 1.930 14.218 -1.450 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.577 13.407 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.470 11.963 -2.045 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.169 12.123 -0.326 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.111 11.126 -0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.815 10.971 -2.350 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.173 9.491 -1.828 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.753 9.580 -0.129 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.519 7.943 -2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.178 9.613 0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.550 8.565 1.312 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.289 6.653 -1.654 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.175 6.901 -0.145 1.00 0.00 H new ATOM 230 N ALA A 18 -0.568 14.481 0.639 1.00 0.00 N ATOM 231 CA ALA A 18 -1.456 14.806 1.746 1.00 0.00 C ATOM 232 C ALA A 18 -2.530 15.792 1.287 1.00 0.00 C ATOM 233 O ALA A 18 -3.728 15.510 1.367 1.00 0.00 O ATOM 234 CB ALA A 18 -0.648 15.386 2.912 1.00 0.00 C ATOM 0 H ALA A 18 0.386 14.822 0.754 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.950 13.896 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.320 15.627 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.087 14.653 3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.136 16.291 2.585 1.00 0.00 H new ATOM 240 N ALA A 19 -2.077 16.946 0.787 1.00 0.00 N ATOM 241 CA ALA A 19 -2.944 18.014 0.323 1.00 0.00 C ATOM 242 C ALA A 19 -3.832 17.532 -0.827 1.00 0.00 C ATOM 243 O ALA A 19 -4.996 17.921 -0.907 1.00 0.00 O ATOM 244 CB ALA A 19 -2.098 19.237 -0.054 1.00 0.00 C ATOM 0 H ALA A 19 -1.084 17.159 0.695 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.618 18.314 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.751 20.038 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.541 19.577 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.401 18.967 -0.847 1.00 0.00 H new ATOM 250 N ALA A 20 -3.290 16.678 -1.710 1.00 0.00 N ATOM 251 CA ALA A 20 -4.034 16.138 -2.839 1.00 0.00 C ATOM 252 C ALA A 20 -5.007 15.042 -2.443 1.00 0.00 C ATOM 253 O ALA A 20 -6.077 14.950 -3.038 1.00 0.00 O ATOM 254 CB ALA A 20 -3.090 15.675 -3.951 1.00 0.00 C ATOM 0 H ALA A 20 -2.326 16.349 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.643 16.955 -3.226 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.673 15.276 -4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.495 16.520 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.428 14.899 -3.567 1.00 0.00 H new ATOM 260 N ASN A 21 -4.647 14.208 -1.465 1.00 0.00 N ATOM 261 CA ASN A 21 -5.527 13.158 -0.983 1.00 0.00 C ATOM 262 C ASN A 21 -6.698 13.825 -0.253 1.00 0.00 C ATOM 263 O ASN A 21 -7.748 13.202 -0.095 1.00 0.00 O ATOM 264 CB ASN A 21 -4.770 12.179 -0.077 1.00 0.00 C ATOM 265 CG ASN A 21 -5.663 11.042 0.411 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.029 10.995 1.583 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.015 10.122 -0.491 1.00 0.00 N ATOM 0 H ASN A 21 -3.744 14.246 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.908 12.568 -1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.921 11.765 -0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.367 12.717 0.781 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.611 9.341 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.688 10.201 -1.454 1.00 0.00 H new ATOM 274 N ALA A 22 -6.531 15.093 0.175 1.00 0.00 N ATOM 275 CA ALA A 22 -7.592 15.811 0.869 1.00 0.00 C ATOM 276 C ALA A 22 -8.579 16.223 -0.219 1.00 0.00 C ATOM 277 O ALA A 22 -9.744 15.833 -0.184 1.00 0.00 O ATOM 278 CB ALA A 22 -7.040 16.997 1.663 1.00 0.00 C ATOM 0 H ALA A 22 -5.672 15.629 0.048 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.086 15.193 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.859 17.510 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.325 16.638 2.403 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.542 17.689 0.984 1.00 0.00 H new ATOM 284 N ALA A 23 -8.092 17.027 -1.172 1.00 0.00 N ATOM 285 CA ALA A 23 -8.852 17.487 -2.329 1.00 0.00 C ATOM 286 C ALA A 23 -9.579 16.338 -3.047 1.00 0.00 C ATOM 287 O ALA A 23 -10.723 16.513 -3.455 1.00 0.00 O ATOM 288 CB ALA A 23 -7.903 18.200 -3.290 1.00 0.00 C ATOM 0 H ALA A 23 -7.136 17.381 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.623 18.173 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.460 18.549 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.447 19.052 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.124 17.509 -3.611 1.00 0.00 H new ATOM 294 N CYS A 24 -8.923 15.176 -3.206 1.00 0.00 N ATOM 295 CA CYS A 24 -9.475 13.981 -3.846 1.00 0.00 C ATOM 296 C CYS A 24 -10.721 13.521 -3.099 1.00 0.00 C ATOM 297 O CYS A 24 -11.791 13.385 -3.691 1.00 0.00 O ATOM 298 CB CYS A 24 -8.443 12.833 -3.849 1.00 0.00 C ATOM 299 SG CYS A 24 -9.152 11.152 -3.720 1.00 0.00 S ATOM 0 H CYS A 24 -7.965 15.044 -2.881 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.729 14.236 -4.875 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -7.857 12.894 -4.766 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -7.752 12.984 -3.019 1.00 0.00 H new ATOM 304 N GLN A 25 -10.550 13.289 -1.793 1.00 0.00 N ATOM 305 CA GLN A 25 -11.585 12.814 -0.898 1.00 0.00 C ATOM 306 C GLN A 25 -12.792 13.746 -0.919 1.00 0.00 C ATOM 307 O GLN A 25 -13.913 13.274 -0.749 1.00 0.00 O ATOM 308 CB GLN A 25 -10.983 12.663 0.507 1.00 0.00 C ATOM 309 CG GLN A 25 -11.965 12.082 1.530 1.00 0.00 C ATOM 310 CD GLN A 25 -11.307 11.958 2.902 1.00 0.00 C ATOM 311 OE1 GLN A 25 -11.578 12.757 3.795 1.00 0.00 O ATOM 312 NE2 GLN A 25 -10.439 10.956 3.072 1.00 0.00 N ATOM 0 H GLN A 25 -9.655 13.434 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.950 11.841 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.105 12.019 0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.642 13.638 0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.845 12.721 1.600 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -12.308 11.103 1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -10.243 10.315 2.303 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.973 10.832 3.971 1.00 0.00 H new ATOM 321 N TYR A 26 -12.565 15.049 -1.141 1.00 0.00 N ATOM 322 CA TYR A 26 -13.634 16.037 -1.159 1.00 0.00 C ATOM 323 C TYR A 26 -14.269 16.230 -2.552 1.00 0.00 C ATOM 324 O TYR A 26 -15.463 16.507 -2.635 1.00 0.00 O ATOM 325 CB TYR A 26 -13.174 17.405 -0.609 1.00 0.00 C ATOM 326 CG TYR A 26 -12.607 17.551 0.801 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.224 16.460 1.613 1.00 0.00 C ATOM 328 CD2 TYR A 26 -12.473 18.859 1.308 1.00 0.00 C ATOM 329 CE1 TYR A 26 -11.695 16.685 2.897 1.00 0.00 C ATOM 330 CE2 TYR A 26 -11.966 19.083 2.599 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.565 17.995 3.391 1.00 0.00 C ATOM 332 OH TYR A 26 -11.059 18.216 4.639 1.00 0.00 O ATOM 0 H TYR A 26 -11.638 15.438 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.399 15.627 -0.500 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -12.416 17.783 -1.295 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -14.029 18.077 -0.677 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -12.338 15.450 1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.764 19.700 0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.387 15.848 3.506 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.885 20.090 2.981 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.039 19.179 4.818 1.00 0.00 H new ATOM 342 N TYR A 27 -13.514 16.079 -3.653 1.00 0.00 N ATOM 343 CA TYR A 27 -14.030 16.293 -5.008 1.00 0.00 C ATOM 344 C TYR A 27 -15.134 15.315 -5.413 1.00 0.00 C ATOM 345 O TYR A 27 -16.073 15.713 -6.102 1.00 0.00 O ATOM 346 CB TYR A 27 -12.900 16.282 -6.058 1.00 0.00 C ATOM 347 CG TYR A 27 -13.368 16.724 -7.441 1.00 0.00 C ATOM 348 CD1 TYR A 27 -13.884 18.026 -7.637 1.00 0.00 C ATOM 349 CD2 TYR A 27 -13.307 15.837 -8.538 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.335 18.428 -8.907 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.768 16.241 -9.801 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.283 17.534 -9.989 1.00 0.00 C ATOM 353 OH TYR A 27 -14.721 17.919 -11.223 1.00 0.00 O ATOM 0 H TYR A 27 -12.532 15.806 -3.625 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.484 17.284 -4.982 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.096 16.939 -5.725 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.484 15.277 -6.125 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -13.932 18.715 -6.807 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.904 14.844 -8.405 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -14.722 19.426 -9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.726 15.553 -10.633 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.612 17.178 -11.855 1.00 0.00 H new ATOM 363 N GLN A 28 -15.028 14.055 -4.978 1.00 0.00 N ATOM 364 CA GLN A 28 -15.981 12.996 -5.303 1.00 0.00 C ATOM 365 C GLN A 28 -16.891 12.658 -4.115 1.00 0.00 C ATOM 366 O GLN A 28 -17.383 11.534 -4.023 1.00 0.00 O ATOM 367 CB GLN A 28 -15.213 11.765 -5.810 1.00 0.00 C ATOM 368 CG GLN A 28 -14.398 12.058 -7.078 1.00 0.00 C ATOM 369 CD GLN A 28 -15.284 12.445 -8.261 1.00 0.00 C ATOM 370 OE1 GLN A 28 -15.898 11.451 -8.908 1.00 0.00 O flip ATOM 371 NE2 GLN A 28 -15.413 13.622 -8.587 1.00 0.00 N flip ATOM 0 H GLN A 28 -14.264 13.740 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 28 -16.644 13.348 -6.094 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -14.544 11.411 -5.026 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -15.919 10.960 -6.014 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -13.693 12.865 -6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -13.810 11.179 -7.340 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.926 14.352 -8.066 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.007 13.870 -9.378 1.00 0.00 H new ATOM 380 N ASN A 29 -17.124 13.624 -3.215 1.00 0.00 N ATOM 381 CA ASN A 29 -17.978 13.460 -2.040 1.00 0.00 C ATOM 382 C ASN A 29 -19.356 14.098 -2.239 1.00 0.00 C ATOM 383 O ASN A 29 -20.347 13.554 -1.755 1.00 0.00 O ATOM 384 CB ASN A 29 -17.295 14.093 -0.825 1.00 0.00 C ATOM 385 CG ASN A 29 -17.665 13.414 0.491 1.00 0.00 C ATOM 386 OD1 ASN A 29 -16.821 12.775 1.116 1.00 0.00 O ATOM 387 ND2 ASN A 29 -18.921 13.555 0.922 1.00 0.00 N ATOM 0 H ASN A 29 -16.715 14.556 -3.289 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.126 12.392 -1.881 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -16.214 14.048 -0.959 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -17.566 15.147 -0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.210 13.124 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.591 14.094 0.373 1.00 0.00 H new ATOM 394 N ASP A 30 -19.401 15.248 -2.933 1.00 0.00 N ATOM 395 CA ASP A 30 -20.581 16.059 -3.231 1.00 0.00 C ATOM 396 C ASP A 30 -20.870 16.967 -2.034 1.00 0.00 C ATOM 397 O ASP A 30 -21.517 16.544 -1.077 1.00 0.00 O ATOM 398 CB ASP A 30 -21.799 15.232 -3.675 1.00 0.00 C ATOM 399 CG ASP A 30 -22.925 16.136 -4.172 1.00 0.00 C ATOM 400 OD1 ASP A 30 -22.745 16.725 -5.259 1.00 0.00 O ATOM 401 OD2 ASP A 30 -23.946 16.223 -3.454 1.00 0.00 O ATOM 0 H ASP A 30 -18.553 15.658 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.364 16.680 -4.100 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.505 14.543 -4.467 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -22.155 14.627 -2.841 1.00 0.00 H new ATOM 406 N ASP A 31 -20.379 18.213 -2.115 1.00 0.00 N ATOM 407 CA ASP A 31 -20.484 19.270 -1.113 1.00 0.00 C ATOM 408 C ASP A 31 -19.600 18.932 0.084 1.00 0.00 C ATOM 409 O ASP A 31 -19.904 18.028 0.859 1.00 0.00 O ATOM 410 CB ASP A 31 -21.918 19.585 -0.692 1.00 0.00 C ATOM 411 CG ASP A 31 -22.806 19.911 -1.890 1.00 0.00 C ATOM 412 OD1 ASP A 31 -22.675 21.044 -2.403 1.00 0.00 O ATOM 413 OD2 ASP A 31 -23.595 19.021 -2.275 1.00 0.00 O ATOM 0 H ASP A 31 -19.865 18.524 -2.939 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.126 20.189 -1.578 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -22.333 18.733 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -21.916 20.428 -0.001 1.00 0.00 H new ATOM 418 N THR A 32 -18.508 19.691 0.217 1.00 0.00 N ATOM 419 CA THR A 32 -17.490 19.528 1.249 1.00 0.00 C ATOM 420 C THR A 32 -16.431 20.627 1.167 1.00 0.00 C ATOM 421 O THR A 32 -16.095 21.221 2.190 1.00 0.00 O ATOM 422 CB THR A 32 -16.881 18.120 1.205 1.00 0.00 C ATOM 423 OG1 THR A 32 -15.632 18.088 1.867 1.00 0.00 O ATOM 424 CG2 THR A 32 -16.713 17.626 -0.227 1.00 0.00 C ATOM 0 H THR A 32 -18.305 20.464 -0.417 1.00 0.00 H new ATOM 0 HA THR A 32 -17.972 19.635 2.221 1.00 0.00 H new ATOM 0 HB THR A 32 -17.575 17.456 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.911 18.052 1.204 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.279 16.626 -0.218 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.686 17.595 -0.718 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.054 18.303 -0.770 1.00 0.00 H new ATOM 432 N ALA A 33 -15.902 20.896 -0.034 1.00 0.00 N ATOM 433 CA ALA A 33 -14.878 21.906 -0.239 1.00 0.00 C ATOM 434 C ALA A 33 -15.501 23.298 -0.166 1.00 0.00 C ATOM 435 O ALA A 33 -16.043 23.798 -1.150 1.00 0.00 O ATOM 436 CB ALA A 33 -14.173 21.680 -1.575 1.00 0.00 C ATOM 0 H ALA A 33 -16.179 20.412 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 33 -14.129 21.827 0.549 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.408 22.444 -1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.707 20.695 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.900 21.740 -2.385 1.00 0.00 H new ATOM 442 N GLY A 34 -15.402 23.917 1.015 1.00 0.00 N ATOM 443 CA GLY A 34 -15.921 25.247 1.296 1.00 0.00 C ATOM 444 C GLY A 34 -14.881 26.309 0.952 1.00 0.00 C ATOM 445 O GLY A 34 -14.601 27.189 1.764 1.00 0.00 O ATOM 0 H GLY A 34 -14.945 23.489 1.820 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -16.830 25.419 0.719 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -16.193 25.323 2.349 1.00 0.00 H new ATOM 449 N SER A 35 -14.314 26.217 -0.257 1.00 0.00 N ATOM 450 CA SER A 35 -13.298 27.121 -0.767 1.00 0.00 C ATOM 451 C SER A 35 -13.997 28.285 -1.468 1.00 0.00 C ATOM 452 O SER A 35 -14.084 29.379 -0.915 1.00 0.00 O ATOM 453 CB SER A 35 -12.365 26.347 -1.707 1.00 0.00 C ATOM 454 OG SER A 35 -11.596 25.423 -0.968 1.00 0.00 O ATOM 0 H SER A 35 -14.564 25.485 -0.922 1.00 0.00 H new ATOM 0 HA SER A 35 -12.685 27.529 0.037 1.00 0.00 H new ATOM 0 HB2 SER A 35 -12.950 25.824 -2.464 1.00 0.00 H new ATOM 0 HB3 SER A 35 -11.709 27.040 -2.234 1.00 0.00 H new ATOM 0 HG SER A 35 -11.004 24.931 -1.574 1.00 0.00 H new ATOM 460 N SER A 36 -14.493 28.026 -2.683 1.00 0.00 N ATOM 461 CA SER A 36 -15.210 28.963 -3.534 1.00 0.00 C ATOM 462 C SER A 36 -15.707 28.163 -4.737 1.00 0.00 C ATOM 463 O SER A 36 -16.911 28.011 -4.936 1.00 0.00 O ATOM 464 CB SER A 36 -14.298 30.128 -3.955 1.00 0.00 C ATOM 465 OG SER A 36 -14.994 31.001 -4.818 1.00 0.00 O ATOM 0 H SER A 36 -14.396 27.107 -3.115 1.00 0.00 H new ATOM 0 HA SER A 36 -16.050 29.416 -3.008 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.958 30.671 -3.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.409 29.742 -4.455 1.00 0.00 H new ATOM 0 HG SER A 36 -14.406 31.740 -5.079 1.00 0.00 H new ATOM 471 N THR A 37 -14.754 27.664 -5.533 1.00 0.00 N ATOM 472 CA THR A 37 -14.986 26.852 -6.720 1.00 0.00 C ATOM 473 C THR A 37 -13.826 25.862 -6.976 1.00 0.00 C ATOM 474 O THR A 37 -13.798 25.209 -8.016 1.00 0.00 O ATOM 475 CB THR A 37 -15.393 27.762 -7.903 1.00 0.00 C ATOM 476 OG1 THR A 37 -15.207 27.146 -9.161 1.00 0.00 O ATOM 477 CG2 THR A 37 -14.693 29.126 -7.881 1.00 0.00 C ATOM 0 H THR A 37 -13.763 27.825 -5.355 1.00 0.00 H new ATOM 0 HA THR A 37 -15.836 26.187 -6.568 1.00 0.00 H new ATOM 0 HB THR A 37 -16.461 27.931 -7.763 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.875 26.233 -9.032 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.021 29.717 -8.736 1.00 0.00 H new ATOM 0 HG22 THR A 37 -14.946 29.650 -6.959 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.614 28.982 -7.932 1.00 0.00 H new ATOM 485 N TYR A 38 -12.872 25.726 -6.038 1.00 0.00 N ATOM 486 CA TYR A 38 -11.741 24.808 -6.125 1.00 0.00 C ATOM 487 C TYR A 38 -12.207 23.558 -5.370 1.00 0.00 C ATOM 488 O TYR A 38 -12.696 23.691 -4.248 1.00 0.00 O ATOM 489 CB TYR A 38 -10.474 25.362 -5.424 1.00 0.00 C ATOM 490 CG TYR A 38 -9.971 26.759 -5.780 1.00 0.00 C ATOM 491 CD1 TYR A 38 -10.722 27.885 -5.385 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.757 26.952 -6.484 1.00 0.00 C ATOM 493 CE1 TYR A 38 -10.277 29.182 -5.689 1.00 0.00 C ATOM 494 CE2 TYR A 38 -8.315 28.253 -6.785 1.00 0.00 C ATOM 495 CZ TYR A 38 -9.073 29.367 -6.389 1.00 0.00 C ATOM 496 OH TYR A 38 -8.632 30.626 -6.678 1.00 0.00 O ATOM 0 H TYR A 38 -12.874 26.272 -5.176 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.470 24.631 -7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.660 25.345 -4.350 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.661 24.662 -5.617 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -11.647 27.749 -4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -8.170 26.099 -6.790 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -10.861 30.038 -5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -7.389 28.396 -7.323 1.00 0.00 H new ATOM 0 HH TYR A 38 -7.783 30.572 -7.165 1.00 0.00 H new ATOM 506 N PRO A 39 -12.086 22.352 -5.942 1.00 0.00 N ATOM 507 CA PRO A 39 -11.540 22.045 -7.256 1.00 0.00 C ATOM 508 C PRO A 39 -12.398 22.493 -8.448 1.00 0.00 C ATOM 509 O PRO A 39 -13.593 22.204 -8.497 1.00 0.00 O ATOM 510 CB PRO A 39 -11.378 20.516 -7.277 1.00 0.00 C ATOM 511 CG PRO A 39 -11.486 20.105 -5.811 1.00 0.00 C ATOM 512 CD PRO A 39 -12.481 21.125 -5.278 1.00 0.00 C ATOM 0 HA PRO A 39 -10.609 22.598 -7.383 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.152 20.042 -7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.418 20.224 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.847 19.083 -5.698 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.526 20.162 -5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.508 20.850 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.421 21.217 -4.194 1.00 0.00 H new ATOM 520 N HIS A 40 -11.775 23.209 -9.398 1.00 0.00 N ATOM 521 CA HIS A 40 -12.394 23.696 -10.627 1.00 0.00 C ATOM 522 C HIS A 40 -12.049 22.689 -11.715 1.00 0.00 C ATOM 523 O HIS A 40 -10.936 22.171 -11.685 1.00 0.00 O ATOM 524 CB HIS A 40 -11.736 24.990 -11.144 1.00 0.00 C ATOM 525 CG HIS A 40 -11.635 26.188 -10.244 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.333 27.357 -10.496 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.914 26.431 -9.102 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.005 28.229 -9.531 1.00 0.00 C ATOM 529 NE2 HIS A 40 -11.154 27.721 -8.639 1.00 0.00 N ATOM 0 H HIS A 40 -10.792 23.470 -9.322 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.454 23.849 -10.422 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -10.725 24.736 -11.461 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -12.282 25.298 -12.036 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.253 25.720 -8.629 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.390 29.237 -9.482 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.769 28.173 -7.810 1.00 0.00 H new ATOM 537 N THR A 41 -12.942 22.397 -12.672 1.00 0.00 N ATOM 538 CA THR A 41 -12.572 21.468 -13.737 1.00 0.00 C ATOM 539 C THR A 41 -11.414 22.130 -14.499 1.00 0.00 C ATOM 540 O THR A 41 -11.424 23.347 -14.690 1.00 0.00 O ATOM 541 CB THR A 41 -13.764 21.077 -14.616 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.431 19.930 -15.373 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.133 22.201 -15.575 1.00 0.00 C ATOM 0 H THR A 41 -13.888 22.776 -12.728 1.00 0.00 H new ATOM 0 HA THR A 41 -12.244 20.510 -13.334 1.00 0.00 H new ATOM 0 HB THR A 41 -14.614 20.876 -13.964 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.193 19.677 -15.935 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.982 21.894 -16.186 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.398 23.092 -15.006 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.283 22.422 -16.221 1.00 0.00 H new ATOM 551 N TYR A 42 -10.429 21.340 -14.936 1.00 0.00 N ATOM 552 CA TYR A 42 -9.245 21.852 -15.616 1.00 0.00 C ATOM 553 C TYR A 42 -9.239 21.545 -17.111 1.00 0.00 C ATOM 554 O TYR A 42 -9.242 20.383 -17.514 1.00 0.00 O ATOM 555 CB TYR A 42 -7.985 21.322 -14.922 1.00 0.00 C ATOM 556 CG TYR A 42 -6.747 22.153 -15.193 1.00 0.00 C ATOM 557 CD1 TYR A 42 -6.566 23.367 -14.505 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.786 21.730 -16.132 1.00 0.00 C ATOM 559 CE1 TYR A 42 -5.431 24.156 -14.752 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.649 22.521 -16.378 1.00 0.00 C ATOM 561 CZ TYR A 42 -4.471 23.734 -15.687 1.00 0.00 C ATOM 562 OH TYR A 42 -3.370 24.503 -15.931 1.00 0.00 O ATOM 0 H TYR A 42 -10.434 20.326 -14.826 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.262 22.939 -15.543 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -8.160 21.287 -13.847 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.804 20.298 -15.249 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.302 23.693 -13.785 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.922 20.799 -16.663 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -5.296 25.088 -14.223 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -3.912 22.197 -17.098 1.00 0.00 H new ATOM 0 HH TYR A 42 -2.808 24.065 -16.603 1.00 0.00 H new ATOM 572 N ASN A 43 -9.218 22.616 -17.914 1.00 0.00 N ATOM 573 CA ASN A 43 -9.186 22.601 -19.368 1.00 0.00 C ATOM 574 C ASN A 43 -8.433 23.856 -19.814 1.00 0.00 C ATOM 575 O ASN A 43 -7.366 23.754 -20.417 1.00 0.00 O ATOM 576 CB ASN A 43 -10.610 22.552 -19.945 1.00 0.00 C ATOM 577 CG ASN A 43 -11.324 21.242 -19.614 1.00 0.00 C ATOM 578 OD1 ASN A 43 -10.985 20.194 -20.161 1.00 0.00 O ATOM 579 ND2 ASN A 43 -12.312 21.297 -18.715 1.00 0.00 N ATOM 0 H ASN A 43 -9.223 23.564 -17.539 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.678 21.711 -19.739 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.188 23.388 -19.552 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.566 22.676 -21.027 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.817 20.448 -18.459 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.561 22.188 -18.285 1.00 0.00 H new ATOM 586 N ASN A 44 -9.000 25.031 -19.501 1.00 0.00 N ATOM 587 CA ASN A 44 -8.458 26.350 -19.798 1.00 0.00 C ATOM 588 C ASN A 44 -8.064 26.492 -21.276 1.00 0.00 C ATOM 589 O ASN A 44 -8.929 26.426 -22.149 1.00 0.00 O ATOM 590 CB ASN A 44 -7.334 26.661 -18.789 1.00 0.00 C ATOM 591 CG ASN A 44 -6.857 28.113 -18.850 1.00 0.00 C ATOM 592 OD1 ASN A 44 -7.645 29.033 -18.642 1.00 0.00 O ATOM 593 ND2 ASN A 44 -5.566 28.323 -19.126 1.00 0.00 N ATOM 0 H ASN A 44 -9.893 25.081 -19.010 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.224 27.114 -19.668 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.688 26.443 -17.781 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.489 25.999 -18.980 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.202 29.275 -19.170 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.945 27.531 -19.292 1.00 0.00 H new ATOM 600 N TYR A 45 -6.767 26.677 -21.550 1.00 0.00 N ATOM 601 CA TYR A 45 -6.165 26.853 -22.864 1.00 0.00 C ATOM 602 C TYR A 45 -4.643 26.760 -22.694 1.00 0.00 C ATOM 603 O TYR A 45 -4.167 26.466 -21.597 1.00 0.00 O ATOM 604 CB TYR A 45 -6.606 28.189 -23.491 1.00 0.00 C ATOM 605 CG TYR A 45 -6.223 29.437 -22.716 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.081 29.941 -21.720 1.00 0.00 C ATOM 607 CD2 TYR A 45 -5.016 30.106 -22.997 1.00 0.00 C ATOM 608 CE1 TYR A 45 -6.727 31.096 -21.000 1.00 0.00 C ATOM 609 CE2 TYR A 45 -4.661 31.258 -22.275 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.518 31.756 -21.278 1.00 0.00 C ATOM 611 OH TYR A 45 -5.180 32.880 -20.582 1.00 0.00 O ATOM 0 H TYR A 45 -6.070 26.709 -20.806 1.00 0.00 H new ATOM 0 HA TYR A 45 -6.496 26.075 -23.552 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.178 28.259 -24.491 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.690 28.174 -23.608 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.014 29.439 -21.508 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -4.361 29.732 -23.770 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.385 31.476 -20.233 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.729 31.761 -22.486 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.313 33.211 -20.897 1.00 0.00 H new ATOM 621 N GLU A 46 -3.890 27.000 -23.777 1.00 0.00 N ATOM 622 CA GLU A 46 -2.429 26.977 -23.825 1.00 0.00 C ATOM 623 C GLU A 46 -1.906 25.536 -23.851 1.00 0.00 C ATOM 624 O GLU A 46 -2.602 24.610 -23.436 1.00 0.00 O ATOM 625 CB GLU A 46 -1.818 27.810 -22.680 1.00 0.00 C ATOM 626 CG GLU A 46 -0.376 28.251 -22.954 1.00 0.00 C ATOM 627 CD GLU A 46 0.115 29.197 -21.861 1.00 0.00 C ATOM 628 OE1 GLU A 46 -0.123 30.415 -22.013 1.00 0.00 O ATOM 629 OE2 GLU A 46 0.711 28.686 -20.889 1.00 0.00 O ATOM 0 H GLU A 46 -4.305 27.225 -24.681 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.108 27.448 -24.754 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.435 28.693 -22.513 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.843 27.225 -21.761 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.274 27.377 -23.005 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.320 28.747 -23.923 1.00 0.00 H new ATOM 636 N GLY A 47 -0.679 25.354 -24.352 1.00 0.00 N ATOM 637 CA GLY A 47 -0.018 24.062 -24.439 1.00 0.00 C ATOM 638 C GLY A 47 0.532 23.627 -23.080 1.00 0.00 C ATOM 639 O GLY A 47 1.745 23.601 -22.884 1.00 0.00 O ATOM 0 H GLY A 47 -0.112 26.121 -24.714 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.722 23.315 -24.805 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.795 24.115 -25.163 1.00 0.00 H new ATOM 643 N PHE A 48 -0.373 23.286 -22.154 1.00 0.00 N ATOM 644 CA PHE A 48 -0.063 22.826 -20.808 1.00 0.00 C ATOM 645 C PHE A 48 -1.071 21.741 -20.442 1.00 0.00 C ATOM 646 O PHE A 48 -2.257 22.022 -20.279 1.00 0.00 O ATOM 647 CB PHE A 48 -0.080 23.992 -19.804 1.00 0.00 C ATOM 648 CG PHE A 48 1.260 24.225 -19.131 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.258 24.962 -19.795 1.00 0.00 C ATOM 650 CD2 PHE A 48 1.512 23.698 -17.849 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.506 25.172 -19.184 1.00 0.00 C ATOM 652 CE2 PHE A 48 2.763 23.910 -17.240 1.00 0.00 C ATOM 653 CZ PHE A 48 3.759 24.644 -17.907 1.00 0.00 C ATOM 0 H PHE A 48 -1.376 23.327 -22.335 1.00 0.00 H new ATOM 0 HA PHE A 48 0.945 22.413 -20.771 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.382 24.903 -20.321 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.832 23.794 -19.041 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.064 25.367 -20.777 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.748 23.133 -17.335 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.270 25.739 -19.696 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.958 23.507 -16.257 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.719 24.802 -17.438 1.00 0.00 H new ATOM 663 N ASP A 49 -0.585 20.501 -20.325 1.00 0.00 N ATOM 664 CA ASP A 49 -1.373 19.329 -19.979 1.00 0.00 C ATOM 665 C ASP A 49 -0.479 18.360 -19.196 1.00 0.00 C ATOM 666 O ASP A 49 0.665 18.686 -18.884 1.00 0.00 O ATOM 667 CB ASP A 49 -1.960 18.721 -21.266 1.00 0.00 C ATOM 668 CG ASP A 49 -3.128 17.773 -21.001 1.00 0.00 C ATOM 669 OD1 ASP A 49 -4.213 18.286 -20.651 1.00 0.00 O ATOM 670 OD2 ASP A 49 -2.918 16.550 -21.152 1.00 0.00 O ATOM 0 H ASP A 49 0.401 20.286 -20.475 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.219 19.580 -19.339 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.294 19.525 -21.921 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.175 18.182 -21.797 1.00 0.00 H new ATOM 675 N PHE A 50 -1.006 17.173 -18.868 1.00 0.00 N ATOM 676 CA PHE A 50 -0.313 16.140 -18.112 1.00 0.00 C ATOM 677 C PHE A 50 -0.489 14.799 -18.838 1.00 0.00 C ATOM 678 O PHE A 50 -1.546 14.575 -19.429 1.00 0.00 O ATOM 679 CB PHE A 50 -0.900 16.100 -16.698 1.00 0.00 C ATOM 680 CG PHE A 50 -0.943 17.454 -16.010 1.00 0.00 C ATOM 681 CD1 PHE A 50 0.155 17.912 -15.258 1.00 0.00 C ATOM 682 CD2 PHE A 50 -2.090 18.264 -16.134 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.108 19.174 -14.636 1.00 0.00 C ATOM 684 CE2 PHE A 50 -2.135 19.524 -15.513 1.00 0.00 C ATOM 685 CZ PHE A 50 -1.033 19.985 -14.774 1.00 0.00 C ATOM 0 H PHE A 50 -1.954 16.904 -19.132 1.00 0.00 H new ATOM 0 HA PHE A 50 0.754 16.348 -18.036 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.911 15.696 -16.746 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.311 15.413 -16.090 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.035 17.294 -15.158 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.936 17.916 -16.708 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.948 19.520 -14.053 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.018 20.139 -15.604 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.062 20.961 -14.312 1.00 0.00 H new ATOM 695 N PRO A 51 0.522 13.908 -18.819 1.00 0.00 N ATOM 696 CA PRO A 51 0.487 12.608 -19.482 1.00 0.00 C ATOM 697 C PRO A 51 -0.363 11.585 -18.714 1.00 0.00 C ATOM 698 O PRO A 51 0.149 10.599 -18.187 1.00 0.00 O ATOM 699 CB PRO A 51 1.960 12.200 -19.589 1.00 0.00 C ATOM 700 CG PRO A 51 2.551 12.772 -18.301 1.00 0.00 C ATOM 701 CD PRO A 51 1.804 14.099 -18.158 1.00 0.00 C ATOM 0 HA PRO A 51 0.009 12.654 -20.461 1.00 0.00 H new ATOM 0 HB2 PRO A 51 2.079 11.118 -19.646 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.435 12.620 -20.476 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.379 12.115 -17.448 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.628 12.919 -18.378 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.667 14.359 -17.108 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.363 14.914 -18.618 1.00 0.00 H new ATOM 709 N VAL A 52 -1.675 11.835 -18.673 1.00 0.00 N ATOM 710 CA VAL A 52 -2.711 11.034 -18.034 1.00 0.00 C ATOM 711 C VAL A 52 -4.005 11.217 -18.844 1.00 0.00 C ATOM 712 O VAL A 52 -3.969 11.794 -19.932 1.00 0.00 O ATOM 713 CB VAL A 52 -2.867 11.431 -16.546 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.920 10.636 -15.638 1.00 0.00 C ATOM 715 CG2 VAL A 52 -2.649 12.931 -16.315 1.00 0.00 C ATOM 0 H VAL A 52 -2.064 12.665 -19.120 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.447 9.977 -18.029 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.897 11.187 -16.284 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.063 10.946 -14.603 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.135 9.572 -15.731 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.888 10.825 -15.934 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.770 13.157 -15.256 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.643 13.206 -16.633 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.379 13.498 -16.892 1.00 0.00 H new ATOM 725 N ASP A 53 -5.139 10.723 -18.329 1.00 0.00 N ATOM 726 CA ASP A 53 -6.451 10.825 -18.957 1.00 0.00 C ATOM 727 C ASP A 53 -7.395 11.612 -18.048 1.00 0.00 C ATOM 728 O ASP A 53 -7.489 11.325 -16.856 1.00 0.00 O ATOM 729 CB ASP A 53 -6.997 9.419 -19.228 1.00 0.00 C ATOM 730 CG ASP A 53 -6.085 8.639 -20.175 1.00 0.00 C ATOM 731 OD1 ASP A 53 -6.165 8.913 -21.393 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.321 7.793 -19.663 1.00 0.00 O ATOM 0 H ASP A 53 -5.163 10.228 -17.438 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.368 11.354 -19.906 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.095 8.878 -18.287 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.995 9.492 -19.660 1.00 0.00 H new ATOM 737 N GLY A 54 -8.098 12.601 -18.618 1.00 0.00 N ATOM 738 CA GLY A 54 -9.032 13.461 -17.905 1.00 0.00 C ATOM 739 C GLY A 54 -10.400 12.799 -17.709 1.00 0.00 C ATOM 740 O GLY A 54 -10.558 11.613 -18.000 1.00 0.00 O ATOM 0 H GLY A 54 -8.026 12.824 -19.611 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.614 13.720 -16.932 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.158 14.393 -18.456 1.00 0.00 H new ATOM 744 N PRO A 55 -11.398 13.547 -17.207 1.00 0.00 N ATOM 745 CA PRO A 55 -11.311 14.951 -16.824 1.00 0.00 C ATOM 746 C PRO A 55 -10.517 15.139 -15.529 1.00 0.00 C ATOM 747 O PRO A 55 -10.478 14.248 -14.681 1.00 0.00 O ATOM 748 CB PRO A 55 -12.758 15.408 -16.635 1.00 0.00 C ATOM 749 CG PRO A 55 -13.491 14.133 -16.231 1.00 0.00 C ATOM 750 CD PRO A 55 -12.742 13.036 -16.988 1.00 0.00 C ATOM 0 HA PRO A 55 -10.788 15.532 -17.583 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.838 16.176 -15.866 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -13.167 15.831 -17.552 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.455 13.973 -15.153 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.543 14.168 -16.513 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.719 12.111 -16.412 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.233 12.810 -17.935 1.00 0.00 H new ATOM 758 N TYR A 56 -9.888 16.312 -15.392 1.00 0.00 N ATOM 759 CA TYR A 56 -9.092 16.700 -14.235 1.00 0.00 C ATOM 760 C TYR A 56 -9.707 17.922 -13.568 1.00 0.00 C ATOM 761 O TYR A 56 -10.696 18.480 -14.042 1.00 0.00 O ATOM 762 CB TYR A 56 -7.672 17.092 -14.683 1.00 0.00 C ATOM 763 CG TYR A 56 -7.038 16.277 -15.786 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.463 15.028 -15.500 1.00 0.00 C ATOM 765 CD2 TYR A 56 -7.013 16.782 -17.100 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.866 14.281 -16.527 1.00 0.00 C ATOM 767 CE2 TYR A 56 -6.411 16.037 -18.127 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.833 14.789 -17.839 1.00 0.00 C ATOM 769 OH TYR A 56 -5.245 14.075 -18.837 1.00 0.00 O ATOM 0 H TYR A 56 -9.924 17.036 -16.109 1.00 0.00 H new ATOM 0 HA TYR A 56 -9.062 15.856 -13.545 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -7.697 18.133 -15.006 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.019 17.044 -13.811 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.480 14.643 -14.491 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.457 17.742 -17.318 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.432 13.316 -16.311 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -6.392 16.422 -19.136 1.00 0.00 H new ATOM 0 HH TYR A 56 -5.313 14.572 -19.679 1.00 0.00 H new ATOM 779 N GLN A 57 -9.097 18.316 -12.447 1.00 0.00 N ATOM 780 CA GLN A 57 -9.501 19.464 -11.665 1.00 0.00 C ATOM 781 C GLN A 57 -8.309 20.008 -10.884 1.00 0.00 C ATOM 782 O GLN A 57 -7.375 19.282 -10.552 1.00 0.00 O ATOM 783 CB GLN A 57 -10.737 19.192 -10.793 1.00 0.00 C ATOM 784 CG GLN A 57 -10.630 17.953 -9.898 1.00 0.00 C ATOM 785 CD GLN A 57 -10.683 16.625 -10.658 1.00 0.00 C ATOM 786 OE1 GLN A 57 -9.965 15.697 -10.312 1.00 0.00 O ATOM 787 NE2 GLN A 57 -11.517 16.516 -11.694 1.00 0.00 N ATOM 0 H GLN A 57 -8.291 17.827 -12.058 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.828 20.246 -12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.919 20.063 -10.164 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.605 19.080 -11.442 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.696 18.002 -9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.440 17.974 -9.169 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.105 17.306 -11.961 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.567 15.643 -12.219 1.00 0.00 H new ATOM 796 N GLU A 58 -8.374 21.306 -10.587 1.00 0.00 N ATOM 797 CA GLU A 58 -7.401 22.106 -9.911 1.00 0.00 C ATOM 798 C GLU A 58 -7.467 21.912 -8.402 1.00 0.00 C ATOM 799 O GLU A 58 -8.520 21.616 -7.858 1.00 0.00 O ATOM 800 CB GLU A 58 -7.854 23.524 -10.311 1.00 0.00 C ATOM 801 CG GLU A 58 -7.457 24.643 -9.386 1.00 0.00 C ATOM 802 CD GLU A 58 -5.951 24.813 -9.228 1.00 0.00 C ATOM 803 OE1 GLU A 58 -5.251 24.779 -10.262 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.527 24.981 -8.066 1.00 0.00 O ATOM 0 H GLU A 58 -9.192 21.857 -10.846 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.370 21.870 -10.173 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.455 23.743 -11.301 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.941 23.523 -10.398 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.880 25.576 -9.759 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.897 24.463 -8.405 1.00 0.00 H new ATOM 811 N PHE A 59 -6.331 22.063 -7.723 1.00 0.00 N ATOM 812 CA PHE A 59 -6.259 21.992 -6.281 1.00 0.00 C ATOM 813 C PHE A 59 -5.032 22.792 -5.849 1.00 0.00 C ATOM 814 O PHE A 59 -3.903 22.331 -6.003 1.00 0.00 O ATOM 815 CB PHE A 59 -6.262 20.597 -5.671 1.00 0.00 C ATOM 816 CG PHE A 59 -6.164 20.826 -4.176 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.255 21.384 -3.478 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.983 20.507 -3.487 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.159 21.623 -2.098 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.890 20.751 -2.112 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.971 21.319 -1.420 1.00 0.00 C ATOM 0 H PHE A 59 -5.432 22.239 -8.171 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.186 22.415 -5.894 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.172 20.055 -5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.423 20.004 -6.036 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.165 21.628 -4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.148 20.074 -4.017 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.998 22.040 -1.561 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.983 20.501 -1.581 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.887 21.522 -0.363 1.00 0.00 H new ATOM 831 N PRO A 60 -5.214 23.986 -5.282 1.00 0.00 N ATOM 832 CA PRO A 60 -4.101 24.820 -4.902 1.00 0.00 C ATOM 833 C PRO A 60 -3.448 24.190 -3.662 1.00 0.00 C ATOM 834 O PRO A 60 -4.159 23.801 -2.736 1.00 0.00 O ATOM 835 CB PRO A 60 -4.696 26.208 -4.799 1.00 0.00 C ATOM 836 CG PRO A 60 -6.102 25.930 -4.276 1.00 0.00 C ATOM 837 CD PRO A 60 -6.472 24.606 -4.935 1.00 0.00 C ATOM 0 HA PRO A 60 -3.263 24.901 -5.594 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.129 26.843 -4.118 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.715 26.713 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.118 25.855 -3.189 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.797 26.723 -4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -7.046 23.976 -4.256 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.088 24.766 -5.820 1.00 0.00 H new ATOM 845 N ILE A 61 -2.108 24.097 -3.622 1.00 0.00 N ATOM 846 CA ILE A 61 -1.410 23.437 -2.520 1.00 0.00 C ATOM 847 C ILE A 61 -1.106 24.277 -1.292 1.00 0.00 C ATOM 848 O ILE A 61 -1.836 25.187 -0.902 1.00 0.00 O ATOM 849 CB ILE A 61 -0.214 22.623 -3.026 1.00 0.00 C ATOM 850 CG1 ILE A 61 -0.041 21.313 -2.223 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.026 23.427 -3.438 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.402 20.868 -2.159 1.00 0.00 C ATOM 0 H ILE A 61 -1.492 24.472 -4.343 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.147 22.743 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.455 22.265 -4.027 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.420 21.456 -1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.642 20.527 -2.680 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.805 22.745 -3.778 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.764 24.111 -4.246 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.390 23.997 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.473 19.944 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.775 20.697 -3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.000 21.641 -1.677 1.00 0.00 H new ATOM 864 N LYS A 62 0.032 23.895 -0.726 1.00 0.00 N ATOM 865 CA LYS A 62 0.654 24.414 0.475 1.00 0.00 C ATOM 866 C LYS A 62 1.390 25.725 0.200 1.00 0.00 C ATOM 867 O LYS A 62 1.630 26.098 -0.947 1.00 0.00 O ATOM 868 CB LYS A 62 1.568 23.337 1.089 1.00 0.00 C ATOM 869 CG LYS A 62 0.795 22.292 1.905 1.00 0.00 C ATOM 870 CD LYS A 62 0.511 22.754 3.343 1.00 0.00 C ATOM 871 CE LYS A 62 1.724 22.705 4.283 1.00 0.00 C ATOM 872 NZ LYS A 62 2.232 21.335 4.472 1.00 0.00 N ATOM 0 H LYS A 62 0.589 23.146 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.119 24.653 1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.116 22.835 0.292 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.307 23.817 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.148 22.072 1.405 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.365 21.364 1.932 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.132 23.776 3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.281 22.132 3.761 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.519 23.332 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.448 23.124 5.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.910 21.322 5.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.439 20.697 4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.706 21.017 3.602 1.00 0.00 H new ATOM 886 N SER A 63 1.722 26.377 1.319 1.00 0.00 N ATOM 887 CA SER A 63 2.382 27.654 1.573 1.00 0.00 C ATOM 888 C SER A 63 1.498 28.349 2.622 1.00 0.00 C ATOM 889 O SER A 63 1.087 29.496 2.443 1.00 0.00 O ATOM 890 CB SER A 63 2.568 28.523 0.316 1.00 0.00 C ATOM 891 OG SER A 63 3.573 27.988 -0.518 1.00 0.00 O ATOM 0 H SER A 63 1.492 25.941 2.212 1.00 0.00 H new ATOM 0 HA SER A 63 3.403 27.494 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.628 28.583 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.833 29.539 0.607 1.00 0.00 H new ATOM 0 HG SER A 63 3.240 27.175 -0.952 1.00 0.00 H new ATOM 897 N GLY A 64 1.201 27.631 3.720 1.00 0.00 N ATOM 898 CA GLY A 64 0.361 28.074 4.821 1.00 0.00 C ATOM 899 C GLY A 64 -0.418 26.877 5.375 1.00 0.00 C ATOM 900 O GLY A 64 -0.387 26.623 6.578 1.00 0.00 O ATOM 0 H GLY A 64 1.561 26.687 3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.974 28.519 5.605 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.329 28.846 4.480 1.00 0.00 H new ATOM 904 N GLY A 65 -1.109 26.141 4.492 1.00 0.00 N ATOM 905 CA GLY A 65 -1.901 24.966 4.837 1.00 0.00 C ATOM 906 C GLY A 65 -2.603 24.408 3.597 1.00 0.00 C ATOM 907 O GLY A 65 -2.237 24.758 2.476 1.00 0.00 O ATOM 0 H GLY A 65 -1.129 26.357 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.257 24.202 5.272 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.641 25.228 5.593 1.00 0.00 H new ATOM 911 N VAL A 66 -3.604 23.534 3.798 1.00 0.00 N ATOM 912 CA VAL A 66 -4.404 22.915 2.736 1.00 0.00 C ATOM 913 C VAL A 66 -5.389 23.973 2.205 1.00 0.00 C ATOM 914 O VAL A 66 -6.595 23.908 2.428 1.00 0.00 O ATOM 915 CB VAL A 66 -5.019 21.585 3.253 1.00 0.00 C ATOM 916 CG1 VAL A 66 -5.977 21.742 4.444 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.694 20.733 2.162 1.00 0.00 C ATOM 0 H VAL A 66 -3.884 23.233 4.731 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.811 22.609 1.874 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.138 21.049 3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.357 20.763 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.444 22.190 5.283 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.810 22.384 4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.096 19.823 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.504 21.302 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.960 20.470 1.400 1.00 0.00 H new ATOM 927 N TYR A 67 -4.829 24.954 1.482 1.00 0.00 N ATOM 928 CA TYR A 67 -5.470 26.110 0.875 1.00 0.00 C ATOM 929 C TYR A 67 -6.026 27.058 1.939 1.00 0.00 C ATOM 930 O TYR A 67 -7.222 27.050 2.227 1.00 0.00 O ATOM 931 CB TYR A 67 -6.499 25.727 -0.193 1.00 0.00 C ATOM 932 CG TYR A 67 -7.061 26.923 -0.951 1.00 0.00 C ATOM 933 CD1 TYR A 67 -6.193 27.796 -1.638 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.447 27.174 -0.963 1.00 0.00 C ATOM 935 CE1 TYR A 67 -6.706 28.893 -2.350 1.00 0.00 C ATOM 936 CE2 TYR A 67 -8.958 28.274 -1.675 1.00 0.00 C ATOM 937 CZ TYR A 67 -8.091 29.128 -2.376 1.00 0.00 C ATOM 938 OH TYR A 67 -8.594 30.186 -3.076 1.00 0.00 O ATOM 0 H TYR A 67 -3.826 24.950 1.296 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.699 26.661 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -6.036 25.042 -0.903 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -7.320 25.189 0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.128 27.620 -1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.118 26.521 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.036 29.556 -2.877 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.021 28.463 -1.683 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.037 29.861 -3.887 1.00 0.00 H new ATOM 948 N THR A 68 -5.135 27.875 2.513 1.00 0.00 N ATOM 949 CA THR A 68 -5.452 28.865 3.531 1.00 0.00 C ATOM 950 C THR A 68 -4.360 29.939 3.536 1.00 0.00 C ATOM 951 O THR A 68 -3.247 29.706 4.004 1.00 0.00 O ATOM 952 CB THR A 68 -5.716 28.226 4.903 1.00 0.00 C ATOM 953 OG1 THR A 68 -5.779 29.225 5.901 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.673 27.182 5.281 1.00 0.00 C ATOM 0 H THR A 68 -4.145 27.859 2.269 1.00 0.00 H new ATOM 0 HA THR A 68 -6.394 29.356 3.287 1.00 0.00 H new ATOM 0 HB THR A 68 -6.674 27.710 4.831 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.949 28.808 6.771 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.913 26.766 6.260 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.671 26.384 4.538 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.688 27.648 5.316 1.00 0.00 H new ATOM 962 N GLY A 69 -4.686 31.120 2.997 1.00 0.00 N ATOM 963 CA GLY A 69 -3.781 32.254 2.928 1.00 0.00 C ATOM 964 C GLY A 69 -4.484 33.417 2.232 1.00 0.00 C ATOM 965 O GLY A 69 -5.502 33.902 2.724 1.00 0.00 O ATOM 0 H GLY A 69 -5.603 31.309 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.471 32.549 3.931 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.878 31.981 2.383 1.00 0.00 H new ATOM 969 N GLY A 70 -3.941 33.864 1.093 1.00 0.00 N ATOM 970 CA GLY A 70 -4.515 34.951 0.319 1.00 0.00 C ATOM 971 C GLY A 70 -3.589 35.312 -0.839 1.00 0.00 C ATOM 972 O GLY A 70 -3.600 34.641 -1.870 1.00 0.00 O ATOM 0 H GLY A 70 -3.089 33.475 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.493 34.659 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.669 35.821 0.957 1.00 0.00 H new ATOM 976 N SER A 71 -2.797 36.375 -0.661 1.00 0.00 N ATOM 977 CA SER A 71 -1.845 36.861 -1.648 1.00 0.00 C ATOM 978 C SER A 71 -0.777 35.811 -1.988 1.00 0.00 C ATOM 979 O SER A 71 -0.673 35.448 -3.159 1.00 0.00 O ATOM 980 CB SER A 71 -1.247 38.205 -1.214 1.00 0.00 C ATOM 981 OG SER A 71 -2.269 39.170 -1.080 1.00 0.00 O ATOM 0 H SER A 71 -2.805 36.929 0.195 1.00 0.00 H new ATOM 0 HA SER A 71 -2.386 37.039 -2.577 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.720 38.088 -0.267 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.514 38.540 -1.948 1.00 0.00 H new ATOM 0 HG SER A 71 -1.878 40.024 -0.801 1.00 0.00 H new ATOM 987 N PRO A 72 0.015 35.298 -1.024 1.00 0.00 N ATOM 988 CA PRO A 72 1.005 34.267 -1.304 1.00 0.00 C ATOM 989 C PRO A 72 0.319 32.965 -1.722 1.00 0.00 C ATOM 990 O PRO A 72 -0.653 32.539 -1.099 1.00 0.00 O ATOM 991 CB PRO A 72 1.808 34.090 -0.013 1.00 0.00 C ATOM 992 CG PRO A 72 0.811 34.501 1.067 1.00 0.00 C ATOM 993 CD PRO A 72 0.058 35.644 0.391 1.00 0.00 C ATOM 0 HA PRO A 72 1.659 34.547 -2.130 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.143 33.061 0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.698 34.719 -0.001 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.147 33.682 1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.310 34.826 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.947 35.748 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.566 36.596 0.547 1.00 0.00 H new ATOM 1001 N GLY A 73 0.833 32.348 -2.791 1.00 0.00 N ATOM 1002 CA GLY A 73 0.322 31.101 -3.326 1.00 0.00 C ATOM 1003 C GLY A 73 1.232 30.642 -4.462 1.00 0.00 C ATOM 1004 O GLY A 73 2.318 30.131 -4.192 1.00 0.00 O ATOM 0 H GLY A 73 1.630 32.715 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.283 30.343 -2.544 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.697 31.236 -3.690 1.00 0.00 H new ATOM 1008 N ALA A 74 0.778 30.826 -5.714 1.00 0.00 N ATOM 1009 CA ALA A 74 1.452 30.468 -6.962 1.00 0.00 C ATOM 1010 C ALA A 74 1.477 28.966 -7.231 1.00 0.00 C ATOM 1011 O ALA A 74 1.185 28.558 -8.350 1.00 0.00 O ATOM 1012 CB ALA A 74 2.869 31.049 -7.059 1.00 0.00 C ATOM 0 H ALA A 74 -0.130 31.258 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 74 0.843 30.926 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.320 30.751 -8.005 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.821 32.137 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.474 30.673 -6.234 1.00 0.00 H new ATOM 1018 N ASP A 75 1.829 28.162 -6.219 1.00 0.00 N ATOM 1019 CA ASP A 75 1.943 26.715 -6.282 1.00 0.00 C ATOM 1020 C ASP A 75 0.585 26.011 -6.219 1.00 0.00 C ATOM 1021 O ASP A 75 -0.195 26.219 -5.285 1.00 0.00 O ATOM 1022 CB ASP A 75 2.877 26.258 -5.157 1.00 0.00 C ATOM 1023 CG ASP A 75 3.771 25.117 -5.621 1.00 0.00 C ATOM 1024 OD1 ASP A 75 3.240 24.007 -5.834 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.982 25.390 -5.761 1.00 0.00 O ATOM 0 H ASP A 75 2.051 28.529 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 75 2.363 26.434 -7.248 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.492 27.095 -4.827 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.288 25.937 -4.298 1.00 0.00 H new ATOM 1030 N ARG A 76 0.310 25.162 -7.218 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.945 24.439 -7.317 1.00 0.00 C ATOM 1032 C ARG A 76 -0.770 23.053 -7.932 1.00 0.00 C ATOM 1033 O ARG A 76 -0.235 22.937 -9.034 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.934 25.235 -8.190 1.00 0.00 C ATOM 1035 CG ARG A 76 -2.080 26.711 -7.796 1.00 0.00 C ATOM 1036 CD ARG A 76 -3.168 27.397 -8.625 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.099 28.855 -8.468 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.784 29.741 -9.212 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -4.637 29.331 -10.164 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.609 31.052 -9.001 1.00 0.00 N ATOM 0 H ARG A 76 0.960 24.963 -7.978 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.325 24.319 -6.302 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.609 25.179 -9.229 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.913 24.758 -8.136 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.325 26.785 -6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.130 27.225 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.051 27.134 -9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.149 27.039 -8.314 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.486 29.223 -7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.773 28.334 -10.332 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.149 30.016 -10.720 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -2.961 31.371 -8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.124 31.732 -9.560 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.211 22.006 -7.216 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.159 20.636 -7.718 1.00 0.00 C ATOM 1056 C VAL A 77 -2.468 20.498 -8.504 1.00 0.00 C ATOM 1057 O VAL A 77 -3.429 21.222 -8.254 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.946 19.566 -6.624 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.327 19.864 -5.823 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -2.125 19.496 -5.652 1.00 0.00 C ATOM 0 H VAL A 77 -1.609 22.091 -6.281 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.286 20.455 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.857 18.608 -7.136 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.462 19.101 -5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.187 19.862 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.238 20.842 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.932 18.731 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.251 20.462 -5.163 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.034 19.246 -6.200 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.541 19.588 -9.466 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.744 19.434 -10.279 1.00 0.00 C ATOM 1072 C VAL A 78 -3.989 17.928 -10.346 1.00 0.00 C ATOM 1073 O VAL A 78 -3.169 17.191 -10.896 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.524 20.216 -11.587 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.651 19.994 -12.601 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.408 21.727 -11.255 1.00 0.00 C ATOM 0 H VAL A 78 -1.785 18.946 -9.704 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.669 19.862 -9.893 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.606 19.849 -12.046 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.446 20.568 -13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.713 18.935 -12.850 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.597 20.321 -12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.252 22.291 -12.175 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.326 22.065 -10.773 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.565 21.888 -10.583 1.00 0.00 H new ATOM 1086 N ILE A 79 -5.123 17.496 -9.764 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.519 16.098 -9.642 1.00 0.00 C ATOM 1088 C ILE A 79 -6.461 15.549 -10.719 1.00 0.00 C ATOM 1089 O ILE A 79 -7.059 16.320 -11.465 1.00 0.00 O ATOM 1090 CB ILE A 79 -6.046 15.830 -8.209 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -7.548 16.125 -8.056 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -5.272 16.644 -7.157 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -8.100 15.758 -6.676 1.00 0.00 C ATOM 0 H ILE A 79 -5.803 18.137 -9.356 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.608 15.528 -9.826 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.887 14.765 -8.040 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.723 17.185 -8.240 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.099 15.574 -8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.670 16.429 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.217 16.372 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.380 17.708 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.164 15.991 -6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.955 14.692 -6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.574 16.328 -5.910 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.591 14.207 -10.777 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.458 13.493 -11.719 1.00 0.00 C ATOM 1107 C ASN A 80 -8.746 13.109 -10.986 1.00 0.00 C ATOM 1108 O ASN A 80 -8.775 13.108 -9.754 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.759 12.258 -12.310 1.00 0.00 C ATOM 1110 CG ASN A 80 -7.437 11.719 -13.574 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -8.206 12.418 -14.230 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -7.150 10.462 -13.924 1.00 0.00 N ATOM 0 H ASN A 80 -6.081 13.582 -10.153 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.692 14.142 -12.563 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -5.725 12.512 -12.542 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -6.733 11.470 -11.557 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -7.574 10.055 -14.758 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -6.507 9.909 -13.357 1.00 0.00 H new ATOM 1119 N THR A 81 -9.802 12.766 -11.735 1.00 0.00 N ATOM 1120 CA THR A 81 -11.109 12.434 -11.178 1.00 0.00 C ATOM 1121 C THR A 81 -11.314 11.095 -10.479 1.00 0.00 C ATOM 1122 O THR A 81 -12.435 10.585 -10.461 1.00 0.00 O ATOM 1123 CB THR A 81 -12.222 12.816 -12.165 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.480 12.884 -11.526 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.266 11.825 -13.323 1.00 0.00 C ATOM 0 H THR A 81 -9.767 12.712 -12.753 1.00 0.00 H new ATOM 0 HA THR A 81 -11.166 13.065 -10.291 1.00 0.00 H new ATOM 0 HB THR A 81 -11.995 13.808 -12.556 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.638 12.056 -11.026 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.060 12.108 -14.014 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.309 11.833 -13.845 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.461 10.824 -12.938 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.267 10.512 -9.894 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.415 9.283 -9.157 1.00 0.00 C ATOM 1135 C ASN A 82 -9.857 9.712 -7.811 1.00 0.00 C ATOM 1136 O ASN A 82 -10.595 10.018 -6.875 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.673 8.132 -9.858 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.393 7.705 -11.135 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -11.115 6.711 -11.138 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -10.194 8.454 -12.223 1.00 0.00 N ATOM 0 H ASN A 82 -9.316 10.879 -9.923 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.422 8.874 -9.071 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.657 8.444 -10.098 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.594 7.282 -9.181 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -10.650 8.208 -13.102 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -9.586 9.271 -12.175 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.532 9.731 -7.764 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.721 10.117 -6.623 1.00 0.00 C ATOM 1149 C CYS A 83 -6.261 10.409 -6.957 1.00 0.00 C ATOM 1150 O CYS A 83 -5.604 11.152 -6.228 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.831 9.114 -5.471 1.00 0.00 C ATOM 1152 SG CYS A 83 -7.580 9.857 -3.836 1.00 0.00 S ATOM 0 H CYS A 83 -7.965 9.462 -8.568 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.146 11.066 -6.295 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.815 8.645 -5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.096 8.322 -5.618 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.759 9.837 -8.060 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.363 9.980 -8.438 1.00 0.00 C ATOM 1159 C GLU A 84 -4.174 11.325 -9.100 1.00 0.00 C ATOM 1160 O GLU A 84 -4.889 11.649 -10.045 1.00 0.00 O ATOM 1161 CB GLU A 84 -3.935 8.830 -9.360 1.00 0.00 C ATOM 1162 CG GLU A 84 -2.458 8.921 -9.777 1.00 0.00 C ATOM 1163 CD GLU A 84 -1.505 8.981 -8.582 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -1.305 7.916 -7.959 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -0.994 10.090 -8.310 1.00 0.00 O ATOM 0 H GLU A 84 -6.310 9.269 -8.704 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.730 9.932 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.107 7.880 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.561 8.833 -10.252 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.206 8.058 -10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.314 9.807 -10.395 1.00 0.00 H new ATOM 1172 N TYR A 85 -3.204 12.099 -8.606 1.00 0.00 N ATOM 1173 CA TYR A 85 -2.951 13.413 -9.147 1.00 0.00 C ATOM 1174 C TYR A 85 -2.087 13.340 -10.399 1.00 0.00 C ATOM 1175 O TYR A 85 -1.227 12.469 -10.531 1.00 0.00 O ATOM 1176 CB TYR A 85 -2.589 14.456 -8.077 1.00 0.00 C ATOM 1177 CG TYR A 85 -1.468 14.150 -7.110 1.00 0.00 C ATOM 1178 CD1 TYR A 85 -1.632 13.155 -6.128 1.00 0.00 C ATOM 1179 CD2 TYR A 85 -0.262 14.868 -7.171 1.00 0.00 C ATOM 1180 CE1 TYR A 85 -0.594 12.870 -5.231 1.00 0.00 C ATOM 1181 CE2 TYR A 85 0.769 14.589 -6.276 1.00 0.00 C ATOM 1182 CZ TYR A 85 0.610 13.588 -5.301 1.00 0.00 C ATOM 1183 OH TYR A 85 1.618 13.298 -4.429 1.00 0.00 O ATOM 0 H TYR A 85 -2.591 11.830 -7.837 1.00 0.00 H new ATOM 0 HA TYR A 85 -3.887 13.831 -9.518 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -2.336 15.383 -8.592 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -3.487 14.652 -7.490 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.562 12.609 -6.066 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.133 15.640 -7.915 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.720 12.098 -4.486 1.00 0.00 H new ATOM 0 HE2 TYR A 85 1.694 15.144 -6.331 1.00 0.00 H new ATOM 0 HH TYR A 85 2.481 13.484 -4.854 1.00 0.00 H new ATOM 1193 N ALA A 86 -2.333 14.285 -11.313 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.673 14.378 -12.602 1.00 0.00 C ATOM 1195 C ALA A 86 -0.286 14.991 -12.471 1.00 0.00 C ATOM 1196 O ALA A 86 0.667 14.465 -13.041 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.551 15.218 -13.531 1.00 0.00 C ATOM 0 H ALA A 86 -3.019 15.025 -11.163 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.541 13.378 -13.015 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.073 15.301 -14.507 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.524 14.740 -13.643 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.683 16.213 -13.106 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.165 16.092 -11.724 1.00 0.00 N ATOM 1204 CA GLY A 87 1.127 16.723 -11.536 1.00 0.00 C ATOM 1205 C GLY A 87 0.993 18.021 -10.760 1.00 0.00 C ATOM 1206 O GLY A 87 0.059 18.186 -9.975 1.00 0.00 O ATOM 0 H GLY A 87 -0.940 16.554 -11.248 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.793 16.044 -11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.583 16.921 -12.506 1.00 0.00 H new ATOM 1210 N ALA A 88 1.946 18.934 -10.983 1.00 0.00 N ATOM 1211 CA ALA A 88 1.970 20.217 -10.311 1.00 0.00 C ATOM 1212 C ALA A 88 2.587 21.294 -11.192 1.00 0.00 C ATOM 1213 O ALA A 88 3.445 21.022 -12.031 1.00 0.00 O ATOM 1214 CB ALA A 88 2.718 20.088 -8.982 1.00 0.00 C ATOM 0 H ALA A 88 2.717 18.794 -11.636 1.00 0.00 H new ATOM 0 HA ALA A 88 0.944 20.524 -10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.735 21.055 -8.479 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.213 19.358 -8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.740 19.759 -9.170 1.00 0.00 H new ATOM 1220 N ILE A 89 2.119 22.525 -10.970 1.00 0.00 N ATOM 1221 CA ILE A 89 2.519 23.728 -11.671 1.00 0.00 C ATOM 1222 C ILE A 89 2.656 24.853 -10.642 1.00 0.00 C ATOM 1223 O ILE A 89 2.071 24.768 -9.563 1.00 0.00 O ATOM 1224 CB ILE A 89 1.499 24.040 -12.784 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.067 24.190 -12.231 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.542 22.934 -13.849 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.929 24.685 -13.284 1.00 0.00 C ATOM 0 H ILE A 89 1.414 22.709 -10.257 1.00 0.00 H new ATOM 0 HA ILE A 89 3.483 23.606 -12.164 1.00 0.00 H new ATOM 0 HB ILE A 89 1.775 24.995 -13.232 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.270 23.229 -11.843 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.078 24.886 -11.392 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.820 23.157 -14.635 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.542 22.882 -14.279 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.294 21.977 -13.390 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.919 24.771 -12.836 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.612 25.660 -13.654 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.965 23.977 -14.112 1.00 0.00 H new ATOM 1239 N THR A 90 3.427 25.903 -10.956 1.00 0.00 N ATOM 1240 CA THR A 90 3.630 27.009 -10.029 1.00 0.00 C ATOM 1241 C THR A 90 4.057 28.309 -10.703 1.00 0.00 C ATOM 1242 O THR A 90 4.623 28.277 -11.794 1.00 0.00 O ATOM 1243 CB THR A 90 4.725 26.618 -9.021 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.854 27.612 -8.024 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.084 26.420 -9.715 1.00 0.00 C ATOM 0 H THR A 90 3.917 26.004 -11.845 1.00 0.00 H new ATOM 0 HA THR A 90 2.667 27.191 -9.551 1.00 0.00 H new ATOM 0 HB THR A 90 4.426 25.675 -8.565 1.00 0.00 H new ATOM 0 HG1 THR A 90 4.902 27.187 -7.142 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.834 26.145 -8.974 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.001 25.628 -10.459 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.381 27.347 -10.205 1.00 0.00 H new ATOM 1253 N HIS A 91 3.768 29.451 -10.053 1.00 0.00 N ATOM 1254 CA HIS A 91 4.222 30.747 -10.569 1.00 0.00 C ATOM 1255 C HIS A 91 5.700 30.973 -10.216 1.00 0.00 C ATOM 1256 O HIS A 91 6.325 31.866 -10.784 1.00 0.00 O ATOM 1257 CB HIS A 91 3.454 32.022 -10.172 1.00 0.00 C ATOM 1258 CG HIS A 91 1.959 32.030 -10.312 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.195 33.126 -9.942 1.00 0.00 N ATOM 1260 CD2 HIS A 91 1.063 31.109 -10.785 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.088 32.825 -10.201 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.237 31.602 -10.712 1.00 0.00 N ATOM 0 H HIS A 91 3.232 29.500 -9.186 1.00 0.00 H new ATOM 0 HA HIS A 91 4.026 30.631 -11.635 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.691 32.241 -9.131 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.847 32.845 -10.768 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.329 30.133 -11.163 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -0.910 33.500 -10.016 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.102 31.136 -10.986 1.00 0.00 H new ATOM 1270 N THR A 92 6.263 30.186 -9.283 1.00 0.00 N ATOM 1271 CA THR A 92 7.647 30.306 -8.848 1.00 0.00 C ATOM 1272 C THR A 92 8.587 30.044 -10.028 1.00 0.00 C ATOM 1273 O THR A 92 8.612 28.936 -10.564 1.00 0.00 O ATOM 1274 CB THR A 92 7.913 29.333 -7.687 1.00 0.00 C ATOM 1275 OG1 THR A 92 6.944 29.518 -6.674 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.306 29.555 -7.088 1.00 0.00 C ATOM 0 H THR A 92 5.754 29.440 -8.809 1.00 0.00 H new ATOM 0 HA THR A 92 7.834 31.318 -8.489 1.00 0.00 H new ATOM 0 HB THR A 92 7.856 28.318 -8.081 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.152 28.978 -6.877 1.00 0.00 H new ATOM 0 HG21 THR A 92 9.466 28.853 -6.269 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.062 29.395 -7.856 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.382 30.575 -6.711 1.00 0.00 H new ATOM 1284 N GLY A 93 9.345 31.072 -10.431 1.00 0.00 N ATOM 1285 CA GLY A 93 10.279 31.006 -11.547 1.00 0.00 C ATOM 1286 C GLY A 93 9.655 31.490 -12.859 1.00 0.00 C ATOM 1287 O GLY A 93 10.387 31.768 -13.809 1.00 0.00 O ATOM 0 H GLY A 93 9.321 31.986 -9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.156 31.612 -11.320 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.624 29.979 -11.669 1.00 0.00 H new ATOM 1291 N ALA A 94 8.321 31.604 -12.922 1.00 0.00 N ATOM 1292 CA ALA A 94 7.587 32.041 -14.100 1.00 0.00 C ATOM 1293 C ALA A 94 7.633 33.565 -14.254 1.00 0.00 C ATOM 1294 O ALA A 94 8.264 34.262 -13.460 1.00 0.00 O ATOM 1295 CB ALA A 94 6.137 31.566 -13.984 1.00 0.00 C ATOM 0 H ALA A 94 7.715 31.387 -12.131 1.00 0.00 H new ATOM 0 HA ALA A 94 8.053 31.608 -14.985 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.577 31.888 -14.862 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.115 30.478 -13.918 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.685 31.993 -13.089 1.00 0.00 H new ATOM 1301 N SER A 95 6.941 34.073 -15.281 1.00 0.00 N ATOM 1302 CA SER A 95 6.863 35.488 -15.612 1.00 0.00 C ATOM 1303 C SER A 95 5.724 36.173 -14.847 1.00 0.00 C ATOM 1304 O SER A 95 4.798 36.723 -15.442 1.00 0.00 O ATOM 1305 CB SER A 95 6.724 35.628 -17.131 1.00 0.00 C ATOM 1306 OG SER A 95 6.856 36.979 -17.521 1.00 0.00 O ATOM 0 H SER A 95 6.405 33.486 -15.921 1.00 0.00 H new ATOM 0 HA SER A 95 7.776 35.996 -15.301 1.00 0.00 H new ATOM 0 HB2 SER A 95 7.484 35.025 -17.628 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.754 35.245 -17.449 1.00 0.00 H new ATOM 0 HG SER A 95 6.766 37.049 -18.494 1.00 0.00 H new ATOM 1312 N GLY A 96 5.804 36.118 -13.513 1.00 0.00 N ATOM 1313 CA GLY A 96 4.852 36.726 -12.594 1.00 0.00 C ATOM 1314 C GLY A 96 3.560 35.924 -12.462 1.00 0.00 C ATOM 1315 O GLY A 96 3.452 35.067 -11.589 1.00 0.00 O ATOM 0 H GLY A 96 6.561 35.631 -13.033 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.315 36.825 -11.612 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.615 37.733 -12.937 1.00 0.00 H new ATOM 1319 N ASN A 97 2.576 36.214 -13.321 1.00 0.00 N ATOM 1320 CA ASN A 97 1.272 35.560 -13.332 1.00 0.00 C ATOM 1321 C ASN A 97 1.340 34.200 -14.032 1.00 0.00 C ATOM 1322 O ASN A 97 0.600 33.287 -13.670 1.00 0.00 O ATOM 1323 CB ASN A 97 0.261 36.490 -14.014 1.00 0.00 C ATOM 1324 CG ASN A 97 -1.151 35.907 -14.012 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -1.894 36.080 -13.048 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -1.525 35.218 -15.093 1.00 0.00 N ATOM 0 H ASN A 97 2.671 36.928 -14.043 1.00 0.00 H new ATOM 0 HA ASN A 97 0.952 35.369 -12.308 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.255 37.454 -13.505 1.00 0.00 H new ATOM 0 HB3 ASN A 97 0.575 36.674 -15.041 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.459 34.811 -15.141 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.876 35.098 -15.871 1.00 0.00 H new ATOM 1333 N ASN A 98 2.228 34.075 -15.029 1.00 0.00 N ATOM 1334 CA ASN A 98 2.458 32.870 -15.817 1.00 0.00 C ATOM 1335 C ASN A 98 2.790 31.663 -14.926 1.00 0.00 C ATOM 1336 O ASN A 98 3.089 31.815 -13.743 1.00 0.00 O ATOM 1337 CB ASN A 98 3.579 33.180 -16.821 1.00 0.00 C ATOM 1338 CG ASN A 98 3.928 32.013 -17.745 1.00 0.00 C ATOM 1339 OD1 ASN A 98 3.042 31.402 -18.339 1.00 0.00 O ATOM 1340 ND2 ASN A 98 5.220 31.695 -17.860 1.00 0.00 N ATOM 0 H ASN A 98 2.828 34.848 -15.315 1.00 0.00 H new ATOM 0 HA ASN A 98 1.552 32.591 -16.354 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.282 34.035 -17.429 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.473 33.475 -16.272 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.503 30.919 -18.458 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.924 32.228 -17.349 1.00 0.00 H new ATOM 1347 N PHE A 99 2.725 30.462 -15.513 1.00 0.00 N ATOM 1348 CA PHE A 99 2.981 29.187 -14.859 1.00 0.00 C ATOM 1349 C PHE A 99 4.135 28.429 -15.516 1.00 0.00 C ATOM 1350 O PHE A 99 4.439 28.634 -16.691 1.00 0.00 O ATOM 1351 CB PHE A 99 1.709 28.331 -14.960 1.00 0.00 C ATOM 1352 CG PHE A 99 0.785 28.438 -13.768 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.093 27.704 -12.612 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.370 29.241 -13.801 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.257 27.762 -11.487 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.208 29.304 -12.674 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.893 28.563 -11.520 1.00 0.00 C ATOM 0 H PHE A 99 2.482 30.355 -16.498 1.00 0.00 H new ATOM 0 HA PHE A 99 3.254 29.381 -13.822 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.161 28.622 -15.856 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.998 27.288 -15.088 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.981 27.090 -12.588 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.612 29.807 -14.689 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.498 27.193 -10.601 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.094 29.921 -12.694 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.540 28.612 -10.656 1.00 0.00 H new ATOM 1367 N VAL A 100 4.770 27.552 -14.726 1.00 0.00 N ATOM 1368 CA VAL A 100 5.866 26.679 -15.125 1.00 0.00 C ATOM 1369 C VAL A 100 5.639 25.312 -14.479 1.00 0.00 C ATOM 1370 O VAL A 100 4.866 25.182 -13.532 1.00 0.00 O ATOM 1371 CB VAL A 100 7.262 27.239 -14.793 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.595 28.433 -15.691 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.450 27.587 -13.314 1.00 0.00 C ATOM 0 H VAL A 100 4.516 27.432 -13.746 1.00 0.00 H new ATOM 0 HA VAL A 100 5.859 26.597 -16.212 1.00 0.00 H new ATOM 0 HB VAL A 100 7.969 26.435 -14.998 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.585 28.813 -15.439 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.581 28.118 -16.735 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.856 29.219 -15.540 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.456 27.975 -13.157 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.720 28.342 -13.022 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.308 26.692 -12.709 1.00 0.00 H new ATOM 1383 N GLY A 101 6.334 24.297 -15.002 1.00 0.00 N ATOM 1384 CA GLY A 101 6.232 22.922 -14.541 1.00 0.00 C ATOM 1385 C GLY A 101 7.106 22.658 -13.314 1.00 0.00 C ATOM 1386 O GLY A 101 8.231 23.150 -13.235 1.00 0.00 O ATOM 0 H GLY A 101 6.993 24.417 -15.771 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.193 22.697 -14.300 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.525 22.248 -15.346 1.00 0.00 H new ATOM 1390 N CYS A 102 6.577 21.876 -12.363 1.00 0.00 N ATOM 1391 CA CYS A 102 7.259 21.490 -11.131 1.00 0.00 C ATOM 1392 C CYS A 102 8.170 20.283 -11.399 1.00 0.00 C ATOM 1393 O CYS A 102 8.265 19.818 -12.535 1.00 0.00 O ATOM 1394 CB CYS A 102 6.200 21.134 -10.078 1.00 0.00 C ATOM 1395 SG CYS A 102 6.598 21.453 -8.335 1.00 0.00 S ATOM 0 H CYS A 102 5.637 21.487 -12.436 1.00 0.00 H new ATOM 0 HA CYS A 102 7.875 22.313 -10.768 1.00 0.00 H new ATOM 0 HB2 CYS A 102 5.290 21.683 -10.320 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.969 20.074 -10.180 1.00 0.00 H new ATOM 1400 N SER A 103 8.836 19.761 -10.357 1.00 0.00 N ATOM 1401 CA SER A 103 9.708 18.601 -10.489 1.00 0.00 C ATOM 1402 C SER A 103 8.843 17.366 -10.743 1.00 0.00 C ATOM 1403 O SER A 103 8.091 16.943 -9.865 1.00 0.00 O ATOM 1404 CB SER A 103 10.548 18.423 -9.225 1.00 0.00 C ATOM 1405 OG SER A 103 11.365 17.276 -9.335 1.00 0.00 O ATOM 0 H SER A 103 8.781 20.134 -9.409 1.00 0.00 H new ATOM 0 HA SER A 103 10.392 18.744 -11.326 1.00 0.00 H new ATOM 0 HB2 SER A 103 11.168 19.305 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.895 18.331 -8.357 1.00 0.00 H new ATOM 0 HG SER A 103 11.911 17.185 -8.526 1.00 0.00 H new ATOM 1411 N GLY A 104 8.956 16.809 -11.954 1.00 0.00 N ATOM 1412 CA GLY A 104 8.214 15.647 -12.414 1.00 0.00 C ATOM 1413 C GLY A 104 7.397 16.062 -13.633 1.00 0.00 C ATOM 1414 O GLY A 104 7.312 15.322 -14.613 1.00 0.00 O ATOM 0 H GLY A 104 9.593 17.175 -12.662 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.896 14.836 -12.670 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.560 15.276 -11.625 1.00 0.00 H new ATOM 1418 N THR A 105 6.808 17.263 -13.557 1.00 0.00 N ATOM 1419 CA THR A 105 6.004 17.865 -14.604 1.00 0.00 C ATOM 1420 C THR A 105 6.968 18.599 -15.536 1.00 0.00 C ATOM 1421 O THR A 105 7.318 19.753 -15.292 1.00 0.00 O ATOM 1422 CB THR A 105 4.967 18.805 -13.973 1.00 0.00 C ATOM 1423 OG1 THR A 105 4.121 18.078 -13.105 1.00 0.00 O ATOM 1424 CG2 THR A 105 4.116 19.482 -15.049 1.00 0.00 C ATOM 0 H THR A 105 6.887 17.855 -12.730 1.00 0.00 H new ATOM 0 HA THR A 105 5.447 17.124 -15.176 1.00 0.00 H new ATOM 0 HB THR A 105 5.504 19.571 -13.413 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.194 18.155 -13.412 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.389 20.143 -14.576 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.759 20.064 -15.709 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.592 18.723 -15.630 1.00 0.00 H new ATOM 1432 N ASN A 106 7.391 17.917 -16.607 1.00 0.00 N ATOM 1433 CA ASN A 106 8.325 18.440 -17.591 1.00 0.00 C ATOM 1434 C ASN A 106 7.548 19.099 -18.730 1.00 0.00 C ATOM 1435 O ASN A 106 6.924 18.345 -19.508 1.00 0.00 O ATOM 1436 CB ASN A 106 9.243 17.310 -18.078 1.00 0.00 C ATOM 1437 CG ASN A 106 10.352 17.825 -18.995 1.00 0.00 C ATOM 1438 OD1 ASN A 106 11.454 18.112 -18.533 1.00 0.00 O ATOM 1439 ND2 ASN A 106 10.067 17.936 -20.295 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.446 20.345 -18.693 1.00 0.00 O ATOM 0 H ASN A 106 7.082 16.966 -16.811 1.00 0.00 H new ATOM 0 HA ASN A 106 8.962 19.205 -17.147 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.688 16.809 -17.218 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.650 16.566 -18.609 1.00 0.00 H new ATOM 0 HD21 ASN A 106 10.778 18.270 -20.946 1.00 0.00 H new ATOM 0 HD22 ASN A 106 9.139 17.687 -20.637 1.00 0.00 H new