USER MOD reduce.3.24.130724 H: found=0, std=0, add=1070, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1069 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 12 SER OG : rot -74:sc= 0.347 USER MOD Set 1.2: A 139 THR OG1 : rot 180:sc= 0.332 USER MOD Set 2.1: A 80 TYR OH : rot 84:sc= -0.723 USER MOD Set 2.2: A 114 GLN : amide:sc= -0.866 K(o=-1.6,f=-4.8) USER MOD Set 3.1: A 59 LYS NZ :NH3+ -149:sc= 0.137 (180deg=0) USER MOD Set 3.2: A 61 GLN : amide:sc= -0.384 K(o=-0.43,f=-3.7) USER MOD Set 3.3: A 91 GLN : amide:sc= -0.182 K(o=-0.43,f=-1.4) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0433 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.791 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 15 GLN : amide:sc= -0.496 K(o=-0.5,f=-4.5) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.909 K(o=-0.91,f=-1.5) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -126:sc= 0 (180deg=-1.61!) USER MOD Single : A 25 ASN : amide:sc= -3.02 K(o=-3,f=-15!) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -0.292 (180deg=-2.12) USER MOD Single : A 28 TYR OH : rot 15:sc= -1.56 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0201 K(o=-0.02,f=-1.3) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 29:sc= -0.202 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 105:sc= 0.0306 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.45 X(o=-2.4,f=-2.3!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 63 TYR OH : rot -65:sc= -0.522 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 78 SER OG : rot -112:sc= 0.334 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 139:sc= 0.12 (180deg=-0.558) USER MOD Single : A 92 THR OG1 : rot -160:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc=-0.00332 (180deg=-0.152) USER MOD Single : A 100 HIS : no HD1:sc= -0.0346 X(o=-0.035,f=-0.035) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -2.34 K(o=-2.3,f=-3.1!) USER MOD Single : A 118 MET CE :methyl -158:sc= -0.175 (180deg=-1.36!) USER MOD Single : A 120 ASN : amide:sc= -2.35 K(o=-2.4,f=-0.52) USER MOD Single : A 126 SER OG : rot 180:sc= -0.156 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 113.058 -22.951 11.990 1.00 0.00 N ATOM 2 CA ALA A 1 112.860 -21.483 11.827 1.00 0.00 C ATOM 3 C ALA A 1 113.516 -20.750 12.992 1.00 0.00 C ATOM 4 O ALA A 1 113.535 -21.247 14.117 1.00 0.00 O ATOM 5 CB ALA A 1 111.361 -21.175 11.794 1.00 0.00 C ATOM 0 H1 ALA A 1 112.163 -23.445 11.798 1.00 0.00 H new ATOM 0 H2 ALA A 1 113.785 -23.279 11.323 1.00 0.00 H new ATOM 0 H3 ALA A 1 113.364 -23.154 12.963 1.00 0.00 H new ATOM 0 HA ALA A 1 113.316 -21.151 10.894 1.00 0.00 H new ATOM 0 HB1 ALA A 1 111.213 -20.102 11.675 1.00 0.00 H new ATOM 0 HB2 ALA A 1 110.900 -21.700 10.957 1.00 0.00 H new ATOM 0 HB3 ALA A 1 110.901 -21.504 12.726 1.00 0.00 H new ATOM 13 N THR A 2 114.054 -19.568 12.712 1.00 0.00 N ATOM 14 CA THR A 2 114.711 -18.776 13.743 1.00 0.00 C ATOM 15 C THR A 2 114.555 -17.286 13.454 1.00 0.00 C ATOM 16 O THR A 2 114.023 -16.536 14.271 1.00 0.00 O ATOM 17 CB THR A 2 116.197 -19.132 13.811 1.00 0.00 C ATOM 18 OG1 THR A 2 116.747 -19.109 12.503 1.00 0.00 O ATOM 19 CG2 THR A 2 116.362 -20.530 14.413 1.00 0.00 C ATOM 0 H THR A 2 114.048 -19.140 11.786 1.00 0.00 H new ATOM 0 HA THR A 2 114.241 -19.001 14.701 1.00 0.00 H new ATOM 0 HB THR A 2 116.717 -18.407 14.437 1.00 0.00 H new ATOM 0 HG1 THR A 2 117.700 -19.335 12.545 1.00 0.00 H new ATOM 0 HG21 THR A 2 117.421 -20.783 14.461 1.00 0.00 H new ATOM 0 HG22 THR A 2 115.939 -20.546 15.418 1.00 0.00 H new ATOM 0 HG23 THR A 2 115.843 -21.258 13.790 1.00 0.00 H new ATOM 27 N SER A 3 115.031 -16.863 12.287 1.00 0.00 N ATOM 28 CA SER A 3 114.926 -15.463 11.893 1.00 0.00 C ATOM 29 C SER A 3 115.042 -15.331 10.378 1.00 0.00 C ATOM 30 O SER A 3 115.599 -16.203 9.714 1.00 0.00 O ATOM 31 CB SER A 3 116.028 -14.646 12.567 1.00 0.00 C ATOM 32 OG SER A 3 117.282 -14.990 11.993 1.00 0.00 O ATOM 0 H SER A 3 115.490 -17.464 11.603 1.00 0.00 H new ATOM 0 HA SER A 3 113.954 -15.084 12.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 115.837 -13.580 12.440 1.00 0.00 H new ATOM 0 HB3 SER A 3 116.039 -14.843 13.639 1.00 0.00 H new ATOM 0 HG SER A 3 117.992 -14.467 12.421 1.00 0.00 H new ATOM 38 N THR A 4 114.523 -14.233 9.836 1.00 0.00 N ATOM 39 CA THR A 4 114.597 -13.992 8.395 1.00 0.00 C ATOM 40 C THR A 4 115.242 -12.639 8.114 1.00 0.00 C ATOM 41 O THR A 4 115.215 -11.738 8.955 1.00 0.00 O ATOM 42 CB THR A 4 113.196 -14.016 7.775 1.00 0.00 C ATOM 43 OG1 THR A 4 112.435 -12.932 8.286 1.00 0.00 O ATOM 44 CG2 THR A 4 112.496 -15.336 8.103 1.00 0.00 C ATOM 0 H THR A 4 114.050 -13.501 10.366 1.00 0.00 H new ATOM 0 HA THR A 4 115.203 -14.782 7.952 1.00 0.00 H new ATOM 0 HB THR A 4 113.284 -13.923 6.692 1.00 0.00 H new ATOM 0 HG1 THR A 4 111.539 -12.945 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 4 111.501 -15.341 7.657 1.00 0.00 H new ATOM 0 HG22 THR A 4 113.078 -16.166 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 4 112.409 -15.443 9.184 1.00 0.00 H new ATOM 52 N VAL A 5 115.823 -12.507 6.927 1.00 0.00 N ATOM 53 CA VAL A 5 116.427 -11.244 6.509 1.00 0.00 C ATOM 54 C VAL A 5 115.877 -10.841 5.145 1.00 0.00 C ATOM 55 O VAL A 5 115.947 -11.615 4.189 1.00 0.00 O ATOM 56 CB VAL A 5 117.953 -11.383 6.432 1.00 0.00 C ATOM 57 CG1 VAL A 5 118.581 -10.030 6.085 1.00 0.00 C ATOM 58 CG2 VAL A 5 118.499 -11.852 7.785 1.00 0.00 C ATOM 0 H VAL A 5 115.889 -13.256 6.238 1.00 0.00 H new ATOM 0 HA VAL A 5 116.182 -10.475 7.242 1.00 0.00 H new ATOM 0 HB VAL A 5 118.202 -12.112 5.661 1.00 0.00 H new ATOM 0 HG11 VAL A 5 119.665 -10.135 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 5 118.202 -9.689 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 5 118.324 -9.302 6.854 1.00 0.00 H new ATOM 0 HG21 VAL A 5 119.583 -11.949 7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 5 118.242 -11.123 8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 5 118.061 -12.817 8.039 1.00 0.00 H new ATOM 68 N THR A 6 115.328 -9.633 5.053 1.00 0.00 N ATOM 69 CA THR A 6 114.730 -9.168 3.805 1.00 0.00 C ATOM 70 C THR A 6 115.286 -7.806 3.406 1.00 0.00 C ATOM 71 O THR A 6 115.516 -6.946 4.255 1.00 0.00 O ATOM 72 CB THR A 6 113.209 -9.071 3.963 1.00 0.00 C ATOM 73 OG1 THR A 6 112.706 -10.312 4.437 1.00 0.00 O ATOM 74 CG2 THR A 6 112.570 -8.744 2.612 1.00 0.00 C ATOM 0 H THR A 6 115.285 -8.963 5.821 1.00 0.00 H new ATOM 0 HA THR A 6 114.975 -9.886 3.022 1.00 0.00 H new ATOM 0 HB THR A 6 112.968 -8.282 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 6 111.733 -10.253 4.541 1.00 0.00 H new ATOM 0 HG21 THR A 6 111.488 -8.676 2.728 1.00 0.00 H new ATOM 0 HG22 THR A 6 112.957 -7.792 2.248 1.00 0.00 H new ATOM 0 HG23 THR A 6 112.809 -9.531 1.896 1.00 0.00 H new ATOM 82 N GLY A 7 115.501 -7.617 2.111 1.00 0.00 N ATOM 83 CA GLY A 7 115.864 -6.303 1.588 1.00 0.00 C ATOM 84 C GLY A 7 114.915 -5.956 0.454 1.00 0.00 C ATOM 85 O GLY A 7 114.566 -6.833 -0.337 1.00 0.00 O ATOM 0 H GLY A 7 115.431 -8.351 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.803 -5.552 2.376 1.00 0.00 H new ATOM 0 HA3 GLY A 7 116.894 -6.309 1.231 1.00 0.00 H new ATOM 89 N GLY A 8 114.500 -4.696 0.370 1.00 0.00 N ATOM 90 CA GLY A 8 113.498 -4.320 -0.624 1.00 0.00 C ATOM 91 C GLY A 8 113.703 -2.907 -1.144 1.00 0.00 C ATOM 92 O GLY A 8 114.416 -2.103 -0.543 1.00 0.00 O ATOM 0 H GLY A 8 114.831 -3.934 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.536 -5.021 -1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.504 -4.402 -0.184 1.00 0.00 H new ATOM 96 N TYR A 9 113.024 -2.620 -2.251 1.00 0.00 N ATOM 97 CA TYR A 9 113.076 -1.303 -2.869 1.00 0.00 C ATOM 98 C TYR A 9 111.693 -0.674 -2.800 1.00 0.00 C ATOM 99 O TYR A 9 110.690 -1.341 -3.058 1.00 0.00 O ATOM 100 CB TYR A 9 113.517 -1.425 -4.328 1.00 0.00 C ATOM 101 CG TYR A 9 114.846 -2.120 -4.501 1.00 0.00 C ATOM 102 CD1 TYR A 9 114.893 -3.509 -4.666 1.00 0.00 C ATOM 103 CD2 TYR A 9 116.031 -1.376 -4.501 1.00 0.00 C ATOM 104 CE1 TYR A 9 116.124 -4.154 -4.827 1.00 0.00 C ATOM 105 CE2 TYR A 9 117.264 -2.021 -4.664 1.00 0.00 C ATOM 106 CZ TYR A 9 117.310 -3.410 -4.826 1.00 0.00 C ATOM 107 OH TYR A 9 118.524 -4.045 -4.986 1.00 0.00 O ATOM 0 H TYR A 9 112.428 -3.288 -2.740 1.00 0.00 H new ATOM 0 HA TYR A 9 113.795 -0.678 -2.339 1.00 0.00 H new ATOM 0 HB2 TYR A 9 112.756 -1.971 -4.885 1.00 0.00 H new ATOM 0 HB3 TYR A 9 113.578 -0.428 -4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 9 113.978 -4.083 -4.669 1.00 0.00 H new ATOM 0 HD2 TYR A 9 115.995 -0.304 -4.375 1.00 0.00 H new ATOM 0 HE1 TYR A 9 116.159 -5.226 -4.952 1.00 0.00 H new ATOM 0 HE2 TYR A 9 118.178 -1.446 -4.665 1.00 0.00 H new ATOM 0 HH TYR A 9 119.245 -3.382 -4.962 1.00 0.00 H new ATOM 117 N ALA A 10 111.643 0.594 -2.411 1.00 0.00 N ATOM 118 CA ALA A 10 110.377 1.298 -2.257 1.00 0.00 C ATOM 119 C ALA A 10 110.293 2.464 -3.233 1.00 0.00 C ATOM 120 O ALA A 10 111.273 3.180 -3.434 1.00 0.00 O ATOM 121 CB ALA A 10 110.256 1.828 -0.827 1.00 0.00 C ATOM 0 H ALA A 10 112.466 1.156 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 10 109.564 0.602 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.308 2.355 -0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.295 0.995 -0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 10 111.079 2.513 -0.622 1.00 0.00 H new ATOM 127 N GLN A 11 109.119 2.649 -3.825 1.00 0.00 N ATOM 128 CA GLN A 11 108.875 3.795 -4.694 1.00 0.00 C ATOM 129 C GLN A 11 107.714 4.606 -4.134 1.00 0.00 C ATOM 130 O GLN A 11 106.684 4.038 -3.775 1.00 0.00 O ATOM 131 CB GLN A 11 108.537 3.319 -6.110 1.00 0.00 C ATOM 132 CG GLN A 11 109.743 2.592 -6.707 1.00 0.00 C ATOM 133 CD GLN A 11 109.403 2.032 -8.086 1.00 0.00 C ATOM 134 OE1 GLN A 11 108.231 1.890 -8.436 1.00 0.00 O ATOM 135 NE2 GLN A 11 110.369 1.702 -8.900 1.00 0.00 N ATOM 0 H GLN A 11 108.322 2.021 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 11 109.771 4.414 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 11 107.674 2.654 -6.085 1.00 0.00 H new ATOM 0 HB3 GLN A 11 108.266 4.169 -6.736 1.00 0.00 H new ATOM 0 HG2 GLN A 11 110.586 3.278 -6.785 1.00 0.00 H new ATOM 0 HG3 GLN A 11 110.051 1.782 -6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 11 111.341 1.819 -8.612 1.00 0.00 H new ATOM 0 HE22 GLN A 11 110.152 1.327 -9.824 1.00 0.00 H new ATOM 144 N SER A 12 107.883 5.923 -4.057 1.00 0.00 N ATOM 145 CA SER A 12 106.840 6.787 -3.509 1.00 0.00 C ATOM 146 C SER A 12 106.326 7.726 -4.590 1.00 0.00 C ATOM 147 O SER A 12 107.109 8.229 -5.398 1.00 0.00 O ATOM 148 CB SER A 12 107.396 7.606 -2.342 1.00 0.00 C ATOM 149 OG SER A 12 107.925 6.723 -1.363 1.00 0.00 O ATOM 0 H SER A 12 108.724 6.412 -4.364 1.00 0.00 H new ATOM 0 HA SER A 12 106.020 6.165 -3.151 1.00 0.00 H new ATOM 0 HB2 SER A 12 108.173 8.284 -2.695 1.00 0.00 H new ATOM 0 HB3 SER A 12 106.609 8.222 -1.907 1.00 0.00 H new ATOM 0 HG SER A 12 107.190 6.296 -0.876 1.00 0.00 H new ATOM 155 N ASP A 13 105.027 8.010 -4.541 1.00 0.00 N ATOM 156 CA ASP A 13 104.376 8.765 -5.607 1.00 0.00 C ATOM 157 C ASP A 13 104.661 10.256 -5.477 1.00 0.00 C ATOM 158 O ASP A 13 104.709 10.805 -4.376 1.00 0.00 O ATOM 159 CB ASP A 13 102.864 8.528 -5.561 1.00 0.00 C ATOM 160 CG ASP A 13 102.542 7.059 -5.829 1.00 0.00 C ATOM 161 OD1 ASP A 13 103.288 6.427 -6.561 1.00 0.00 O ATOM 162 OD2 ASP A 13 101.553 6.587 -5.295 1.00 0.00 O ATOM 0 H ASP A 13 104.408 7.731 -3.780 1.00 0.00 H new ATOM 0 HA ASP A 13 104.776 8.419 -6.560 1.00 0.00 H new ATOM 0 HB2 ASP A 13 102.474 8.819 -4.586 1.00 0.00 H new ATOM 0 HB3 ASP A 13 102.369 9.156 -6.302 1.00 0.00 H new ATOM 167 N ALA A 14 104.844 10.899 -6.625 1.00 0.00 N ATOM 168 CA ALA A 14 105.224 12.306 -6.665 1.00 0.00 C ATOM 169 C ALA A 14 104.015 13.200 -6.929 1.00 0.00 C ATOM 170 O ALA A 14 103.116 12.849 -7.692 1.00 0.00 O ATOM 171 CB ALA A 14 106.272 12.531 -7.755 1.00 0.00 C ATOM 0 H ALA A 14 104.735 10.467 -7.542 1.00 0.00 H new ATOM 0 HA ALA A 14 105.640 12.569 -5.692 1.00 0.00 H new ATOM 0 HB1 ALA A 14 106.551 13.584 -7.779 1.00 0.00 H new ATOM 0 HB2 ALA A 14 107.154 11.927 -7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 14 105.859 12.243 -8.722 1.00 0.00 H new ATOM 177 N GLN A 15 104.017 14.359 -6.282 1.00 0.00 N ATOM 178 CA GLN A 15 102.985 15.365 -6.501 1.00 0.00 C ATOM 179 C GLN A 15 103.429 16.285 -7.631 1.00 0.00 C ATOM 180 O GLN A 15 104.624 16.430 -7.880 1.00 0.00 O ATOM 181 CB GLN A 15 102.761 16.175 -5.221 1.00 0.00 C ATOM 182 CG GLN A 15 101.573 17.124 -5.406 1.00 0.00 C ATOM 183 CD GLN A 15 101.281 17.894 -4.119 1.00 0.00 C ATOM 184 OE1 GLN A 15 101.859 17.614 -3.067 1.00 0.00 O ATOM 185 NE2 GLN A 15 100.407 18.862 -4.140 1.00 0.00 N ATOM 0 H GLN A 15 104.725 14.626 -5.598 1.00 0.00 H new ATOM 0 HA GLN A 15 102.047 14.878 -6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 15 102.574 15.503 -4.383 1.00 0.00 H new ATOM 0 HB3 GLN A 15 103.658 16.744 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 15 101.785 17.825 -6.213 1.00 0.00 H new ATOM 0 HG3 GLN A 15 100.691 16.555 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 15 99.927 19.097 -5.009 1.00 0.00 H new ATOM 0 HE22 GLN A 15 100.204 19.384 -3.288 1.00 0.00 H new ATOM 194 N GLY A 16 102.479 16.891 -8.340 1.00 0.00 N ATOM 195 CA GLY A 16 102.804 17.679 -9.531 1.00 0.00 C ATOM 196 C GLY A 16 103.926 18.682 -9.266 1.00 0.00 C ATOM 197 O GLY A 16 104.024 19.251 -8.180 1.00 0.00 O ATOM 0 H GLY A 16 101.485 16.853 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 16 103.100 17.010 -10.339 1.00 0.00 H new ATOM 0 HA3 GLY A 16 101.914 18.211 -9.867 1.00 0.00 H new ATOM 201 N GLN A 17 104.784 18.855 -10.270 1.00 0.00 N ATOM 202 CA GLN A 17 105.965 19.710 -10.160 1.00 0.00 C ATOM 203 C GLN A 17 106.936 19.189 -9.096 1.00 0.00 C ATOM 204 O GLN A 17 107.585 19.970 -8.399 1.00 0.00 O ATOM 205 CB GLN A 17 105.561 21.153 -9.843 1.00 0.00 C ATOM 206 CG GLN A 17 104.701 21.703 -10.983 1.00 0.00 C ATOM 207 CD GLN A 17 104.214 23.114 -10.656 1.00 0.00 C ATOM 208 OE1 GLN A 17 104.225 23.532 -9.497 1.00 0.00 O ATOM 209 NE2 GLN A 17 103.781 23.879 -11.620 1.00 0.00 N ATOM 0 H GLN A 17 104.681 18.408 -11.181 1.00 0.00 H new ATOM 0 HA GLN A 17 106.475 19.690 -11.123 1.00 0.00 H new ATOM 0 HB2 GLN A 17 105.007 21.189 -8.905 1.00 0.00 H new ATOM 0 HB3 GLN A 17 106.450 21.771 -9.713 1.00 0.00 H new ATOM 0 HG2 GLN A 17 105.278 21.717 -11.907 1.00 0.00 H new ATOM 0 HG3 GLN A 17 103.847 21.047 -11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 17 103.772 23.534 -12.580 1.00 0.00 H new ATOM 0 HE22 GLN A 17 103.452 24.822 -11.414 1.00 0.00 H new ATOM 218 N MET A 18 107.040 17.864 -8.986 1.00 0.00 N ATOM 219 CA MET A 18 108.031 17.249 -8.107 1.00 0.00 C ATOM 220 C MET A 18 108.464 15.900 -8.678 1.00 0.00 C ATOM 221 O MET A 18 107.852 15.389 -9.615 1.00 0.00 O ATOM 222 CB MET A 18 107.473 17.050 -6.696 1.00 0.00 C ATOM 223 CG MET A 18 107.072 18.403 -6.103 1.00 0.00 C ATOM 224 SD MET A 18 106.527 18.173 -4.392 1.00 0.00 S ATOM 225 CE MET A 18 106.026 19.884 -4.082 1.00 0.00 C ATOM 0 H MET A 18 106.453 17.201 -9.492 1.00 0.00 H new ATOM 0 HA MET A 18 108.889 17.918 -8.046 1.00 0.00 H new ATOM 0 HB2 MET A 18 106.610 16.385 -6.727 1.00 0.00 H new ATOM 0 HB3 MET A 18 108.221 16.572 -6.063 1.00 0.00 H new ATOM 0 HG2 MET A 18 107.916 19.092 -6.138 1.00 0.00 H new ATOM 0 HG3 MET A 18 106.272 18.849 -6.694 1.00 0.00 H new ATOM 0 HE1 MET A 18 105.649 19.974 -3.063 1.00 0.00 H new ATOM 0 HE2 MET A 18 106.884 20.544 -4.211 1.00 0.00 H new ATOM 0 HE3 MET A 18 105.242 20.167 -4.785 1.00 0.00 H new ATOM 235 N ASN A 19 109.522 15.326 -8.107 1.00 0.00 N ATOM 236 CA ASN A 19 110.036 14.041 -8.580 1.00 0.00 C ATOM 237 C ASN A 19 109.703 12.923 -7.597 1.00 0.00 C ATOM 238 O ASN A 19 109.561 13.161 -6.397 1.00 0.00 O ATOM 239 CB ASN A 19 111.554 14.128 -8.760 1.00 0.00 C ATOM 240 CG ASN A 19 111.903 15.144 -9.844 1.00 0.00 C ATOM 241 OD1 ASN A 19 111.080 15.446 -10.706 1.00 0.00 O ATOM 242 ND2 ASN A 19 113.088 15.690 -9.850 1.00 0.00 N ATOM 0 H ASN A 19 110.037 15.726 -7.323 1.00 0.00 H new ATOM 0 HA ASN A 19 109.562 13.814 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 19 112.022 14.415 -7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 19 111.952 13.149 -9.028 1.00 0.00 H new ATOM 0 HD21 ASN A 19 113.333 16.369 -10.571 1.00 0.00 H new ATOM 0 HD22 ASN A 19 113.769 15.438 -9.134 1.00 0.00 H new ATOM 249 N LYS A 20 109.581 11.704 -8.114 1.00 0.00 N ATOM 250 CA LYS A 20 109.311 10.545 -7.269 1.00 0.00 C ATOM 251 C LYS A 20 110.505 10.274 -6.360 1.00 0.00 C ATOM 252 O LYS A 20 111.586 10.825 -6.569 1.00 0.00 O ATOM 253 CB LYS A 20 109.037 9.315 -8.138 1.00 0.00 C ATOM 254 CG LYS A 20 107.835 9.590 -9.047 1.00 0.00 C ATOM 255 CD LYS A 20 107.394 8.291 -9.730 1.00 0.00 C ATOM 256 CE LYS A 20 108.500 7.794 -10.664 1.00 0.00 C ATOM 257 NZ LYS A 20 107.983 6.666 -11.488 1.00 0.00 N ATOM 0 H LYS A 20 109.664 11.493 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 20 108.434 10.753 -6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 20 109.915 9.078 -8.739 1.00 0.00 H new ATOM 0 HB3 LYS A 20 108.839 8.448 -7.508 1.00 0.00 H new ATOM 0 HG2 LYS A 20 107.012 10.002 -8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 20 108.098 10.335 -9.798 1.00 0.00 H new ATOM 0 HD2 LYS A 20 107.171 7.532 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 20 106.477 8.460 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 20 108.838 8.605 -11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 20 109.363 7.469 -10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 108.734 6.327 -12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 107.681 5.890 -10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 107.173 6.992 -12.053 1.00 0.00 H new ATOM 271 N MET A 21 110.315 9.425 -5.350 1.00 0.00 N ATOM 272 CA MET A 21 111.381 9.162 -4.381 1.00 0.00 C ATOM 273 C MET A 21 111.680 7.671 -4.294 1.00 0.00 C ATOM 274 O MET A 21 110.815 6.843 -4.576 1.00 0.00 O ATOM 275 CB MET A 21 110.972 9.683 -3.001 1.00 0.00 C ATOM 276 CG MET A 21 110.842 11.206 -3.049 1.00 0.00 C ATOM 277 SD MET A 21 110.470 11.832 -1.391 1.00 0.00 S ATOM 278 CE MET A 21 110.262 13.571 -1.847 1.00 0.00 C ATOM 0 H MET A 21 109.448 8.915 -5.182 1.00 0.00 H new ATOM 0 HA MET A 21 112.281 9.679 -4.715 1.00 0.00 H new ATOM 0 HB2 MET A 21 110.025 9.236 -2.698 1.00 0.00 H new ATOM 0 HB3 MET A 21 111.714 9.394 -2.257 1.00 0.00 H new ATOM 0 HG2 MET A 21 111.767 11.649 -3.418 1.00 0.00 H new ATOM 0 HG3 MET A 21 110.052 11.493 -3.743 1.00 0.00 H new ATOM 0 HE1 MET A 21 110.914 14.189 -1.230 1.00 0.00 H new ATOM 0 HE2 MET A 21 110.521 13.705 -2.897 1.00 0.00 H new ATOM 0 HE3 MET A 21 109.225 13.867 -1.689 1.00 0.00 H new ATOM 288 N GLY A 22 112.901 7.338 -3.879 1.00 0.00 N ATOM 289 CA GLY A 22 113.320 5.941 -3.788 1.00 0.00 C ATOM 290 C GLY A 22 113.853 5.641 -2.393 1.00 0.00 C ATOM 291 O GLY A 22 114.548 6.464 -1.802 1.00 0.00 O ATOM 0 H GLY A 22 113.614 8.013 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 22 112.478 5.286 -4.012 1.00 0.00 H new ATOM 0 HA3 GLY A 22 114.090 5.736 -4.531 1.00 0.00 H new ATOM 295 N GLY A 23 113.529 4.463 -1.871 1.00 0.00 N ATOM 296 CA GLY A 23 113.917 4.109 -0.508 1.00 0.00 C ATOM 297 C GLY A 23 114.399 2.667 -0.413 1.00 0.00 C ATOM 298 O GLY A 23 113.882 1.787 -1.096 1.00 0.00 O ATOM 0 H GLY A 23 113.003 3.742 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 23 114.707 4.779 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 23 113.068 4.253 0.161 1.00 0.00 H new ATOM 302 N PHE A 24 115.405 2.433 0.425 1.00 0.00 N ATOM 303 CA PHE A 24 115.914 1.083 0.647 1.00 0.00 C ATOM 304 C PHE A 24 115.573 0.650 2.067 1.00 0.00 C ATOM 305 O PHE A 24 115.706 1.445 2.997 1.00 0.00 O ATOM 306 CB PHE A 24 117.432 1.058 0.453 1.00 0.00 C ATOM 307 CG PHE A 24 117.869 1.482 -0.929 1.00 0.00 C ATOM 308 CD1 PHE A 24 118.137 2.830 -1.193 1.00 0.00 C ATOM 309 CD2 PHE A 24 118.006 0.529 -1.944 1.00 0.00 C ATOM 310 CE1 PHE A 24 118.543 3.226 -2.474 1.00 0.00 C ATOM 311 CE2 PHE A 24 118.413 0.923 -3.224 1.00 0.00 C ATOM 312 CZ PHE A 24 118.681 2.273 -3.490 1.00 0.00 C ATOM 0 H PHE A 24 115.883 3.158 0.960 1.00 0.00 H new ATOM 0 HA PHE A 24 115.455 0.400 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 24 117.895 1.714 1.189 1.00 0.00 H new ATOM 0 HB3 PHE A 24 117.799 0.050 0.648 1.00 0.00 H new ATOM 0 HD1 PHE A 24 118.031 3.565 -0.409 1.00 0.00 H new ATOM 0 HD2 PHE A 24 117.798 -0.511 -1.740 1.00 0.00 H new ATOM 0 HE1 PHE A 24 118.749 4.266 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 24 118.521 0.187 -4.007 1.00 0.00 H new ATOM 0 HZ PHE A 24 118.994 2.578 -4.478 1.00 0.00 H new ATOM 322 N ASN A 25 115.118 -0.592 2.239 1.00 0.00 N ATOM 323 CA ASN A 25 114.702 -1.059 3.563 1.00 0.00 C ATOM 324 C ASN A 25 115.313 -2.413 3.909 1.00 0.00 C ATOM 325 O ASN A 25 115.442 -3.285 3.048 1.00 0.00 O ATOM 326 CB ASN A 25 113.171 -1.145 3.620 1.00 0.00 C ATOM 327 CG ASN A 25 112.651 -2.204 2.651 1.00 0.00 C ATOM 328 OD1 ASN A 25 113.324 -2.541 1.678 1.00 0.00 O ATOM 329 ND2 ASN A 25 111.489 -2.756 2.867 1.00 0.00 N ATOM 0 H ASN A 25 115.029 -1.282 1.493 1.00 0.00 H new ATOM 0 HA ASN A 25 115.062 -0.340 4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.853 -1.386 4.634 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.738 -0.176 3.373 1.00 0.00 H new ATOM 0 HD21 ASN A 25 111.136 -3.469 2.228 1.00 0.00 H new ATOM 0 HD22 ASN A 25 110.933 -2.475 3.675 1.00 0.00 H new ATOM 336 N LEU A 26 115.673 -2.566 5.183 1.00 0.00 N ATOM 337 CA LEU A 26 116.179 -3.836 5.700 1.00 0.00 C ATOM 338 C LEU A 26 115.301 -4.288 6.863 1.00 0.00 C ATOM 339 O LEU A 26 114.947 -3.471 7.713 1.00 0.00 O ATOM 340 CB LEU A 26 117.625 -3.671 6.174 1.00 0.00 C ATOM 341 CG LEU A 26 118.192 -5.034 6.578 1.00 0.00 C ATOM 342 CD1 LEU A 26 118.509 -5.847 5.321 1.00 0.00 C ATOM 343 CD2 LEU A 26 119.475 -4.831 7.386 1.00 0.00 C ATOM 0 H LEU A 26 115.623 -1.822 5.879 1.00 0.00 H new ATOM 0 HA LEU A 26 116.154 -4.585 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.231 -3.235 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 26 117.665 -2.984 7.019 1.00 0.00 H new ATOM 0 HG LEU A 26 117.459 -5.568 7.183 1.00 0.00 H new ATOM 0 HD11 LEU A 26 118.913 -6.818 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 26 117.597 -5.990 4.741 1.00 0.00 H new ATOM 0 HD13 LEU A 26 119.243 -5.313 4.718 1.00 0.00 H new ATOM 0 HD21 LEU A 26 119.880 -5.801 7.675 1.00 0.00 H new ATOM 0 HD22 LEU A 26 120.207 -4.298 6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.253 -4.249 8.281 1.00 0.00 H new ATOM 355 N LYS A 27 114.947 -5.573 6.903 1.00 0.00 N ATOM 356 CA LYS A 27 114.000 -6.062 7.906 1.00 0.00 C ATOM 357 C LYS A 27 114.563 -7.257 8.672 1.00 0.00 C ATOM 358 O LYS A 27 115.234 -8.116 8.102 1.00 0.00 O ATOM 359 CB LYS A 27 112.698 -6.478 7.220 1.00 0.00 C ATOM 360 CG LYS A 27 112.073 -5.264 6.529 1.00 0.00 C ATOM 361 CD LYS A 27 110.852 -5.704 5.717 1.00 0.00 C ATOM 362 CE LYS A 27 109.726 -6.130 6.662 1.00 0.00 C ATOM 363 NZ LYS A 27 109.394 -5.006 7.583 1.00 0.00 N ATOM 0 H LYS A 27 115.296 -6.286 6.262 1.00 0.00 H new ATOM 0 HA LYS A 27 113.816 -5.255 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 27 112.894 -7.264 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 27 112.004 -6.890 7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 27 111.780 -4.522 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 27 112.805 -4.789 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 27 110.514 -4.887 5.079 1.00 0.00 H new ATOM 0 HD3 LYS A 27 111.120 -6.531 5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 27 108.844 -6.416 6.088 1.00 0.00 H new ATOM 0 HE3 LYS A 27 110.031 -7.006 7.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 108.378 -5.028 7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 109.943 -5.103 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 109.628 -4.102 7.126 1.00 0.00 H new ATOM 377 N TYR A 28 114.274 -7.297 9.970 1.00 0.00 N ATOM 378 CA TYR A 28 114.639 -8.435 10.808 1.00 0.00 C ATOM 379 C TYR A 28 113.387 -9.006 11.461 1.00 0.00 C ATOM 380 O TYR A 28 112.533 -8.252 11.927 1.00 0.00 O ATOM 381 CB TYR A 28 115.630 -7.996 11.889 1.00 0.00 C ATOM 382 CG TYR A 28 116.915 -7.428 11.337 1.00 0.00 C ATOM 383 CD1 TYR A 28 117.935 -8.289 10.911 1.00 0.00 C ATOM 384 CD2 TYR A 28 117.088 -6.042 11.251 1.00 0.00 C ATOM 385 CE1 TYR A 28 119.127 -7.763 10.401 1.00 0.00 C ATOM 386 CE2 TYR A 28 118.281 -5.517 10.739 1.00 0.00 C ATOM 387 CZ TYR A 28 119.300 -6.376 10.314 1.00 0.00 C ATOM 388 OH TYR A 28 120.476 -5.858 9.811 1.00 0.00 O ATOM 0 H TYR A 28 113.786 -6.551 10.466 1.00 0.00 H new ATOM 0 HA TYR A 28 115.108 -9.199 10.188 1.00 0.00 H new ATOM 0 HB2 TYR A 28 115.155 -7.248 12.523 1.00 0.00 H new ATOM 0 HB3 TYR A 28 115.864 -8.850 12.524 1.00 0.00 H new ATOM 0 HD1 TYR A 28 117.801 -9.359 10.976 1.00 0.00 H new ATOM 0 HD2 TYR A 28 116.302 -5.378 11.579 1.00 0.00 H new ATOM 0 HE1 TYR A 28 119.914 -8.427 10.074 1.00 0.00 H new ATOM 0 HE2 TYR A 28 118.415 -4.447 10.672 1.00 0.00 H new ATOM 0 HH TYR A 28 120.973 -6.565 9.349 1.00 0.00 H new ATOM 398 N ARG A 29 113.278 -10.331 11.490 1.00 0.00 N ATOM 399 CA ARG A 29 112.094 -10.987 12.040 1.00 0.00 C ATOM 400 C ARG A 29 112.490 -12.139 12.960 1.00 0.00 C ATOM 401 O ARG A 29 113.471 -12.838 12.707 1.00 0.00 O ATOM 402 CB ARG A 29 111.220 -11.518 10.902 1.00 0.00 C ATOM 403 CG ARG A 29 109.914 -12.082 11.469 1.00 0.00 C ATOM 404 CD ARG A 29 109.074 -12.669 10.334 1.00 0.00 C ATOM 405 NE ARG A 29 107.776 -13.121 10.843 1.00 0.00 N ATOM 406 CZ ARG A 29 107.067 -14.113 10.285 1.00 0.00 C ATOM 407 NH1 ARG A 29 107.479 -14.754 9.217 1.00 0.00 N ATOM 408 NH2 ARG A 29 105.925 -14.452 10.821 1.00 0.00 N ATOM 0 H ARG A 29 113.992 -10.970 11.141 1.00 0.00 H new ATOM 0 HA ARG A 29 111.534 -10.254 12.621 1.00 0.00 H new ATOM 0 HB2 ARG A 29 111.004 -10.718 10.194 1.00 0.00 H new ATOM 0 HB3 ARG A 29 111.754 -12.294 10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 29 110.130 -12.851 12.211 1.00 0.00 H new ATOM 0 HG3 ARG A 29 109.357 -11.295 11.978 1.00 0.00 H new ATOM 0 HD2 ARG A 29 108.926 -11.919 9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 29 109.603 -13.504 9.875 1.00 0.00 H new ATOM 0 HE ARG A 29 107.392 -12.656 11.666 1.00 0.00 H new ATOM 0 HH11 ARG A 29 108.367 -14.503 8.782 1.00 0.00 H new ATOM 0 HH12 ARG A 29 106.911 -15.503 8.821 1.00 0.00 H new ATOM 0 HH21 ARG A 29 105.586 -13.964 11.650 1.00 0.00 H new ATOM 0 HH22 ARG A 29 105.372 -15.204 10.410 1.00 0.00 H new ATOM 422 N TYR A 30 111.718 -12.329 14.026 1.00 0.00 N ATOM 423 CA TYR A 30 111.951 -13.433 14.951 1.00 0.00 C ATOM 424 C TYR A 30 110.839 -14.466 14.799 1.00 0.00 C ATOM 425 O TYR A 30 109.691 -14.111 14.534 1.00 0.00 O ATOM 426 CB TYR A 30 111.990 -12.911 16.388 1.00 0.00 C ATOM 427 CG TYR A 30 113.087 -11.901 16.627 1.00 0.00 C ATOM 428 CD1 TYR A 30 114.368 -12.334 16.995 1.00 0.00 C ATOM 429 CD2 TYR A 30 112.826 -10.534 16.475 1.00 0.00 C ATOM 430 CE1 TYR A 30 115.385 -11.397 17.213 1.00 0.00 C ATOM 431 CE2 TYR A 30 113.846 -9.599 16.693 1.00 0.00 C ATOM 432 CZ TYR A 30 115.125 -10.030 17.063 1.00 0.00 C ATOM 433 OH TYR A 30 116.129 -9.109 17.278 1.00 0.00 O ATOM 0 H TYR A 30 110.927 -11.734 14.270 1.00 0.00 H new ATOM 0 HA TYR A 30 112.909 -13.900 14.722 1.00 0.00 H new ATOM 0 HB2 TYR A 30 111.029 -12.457 16.628 1.00 0.00 H new ATOM 0 HB3 TYR A 30 112.125 -13.751 17.069 1.00 0.00 H new ATOM 0 HD1 TYR A 30 114.570 -13.389 17.110 1.00 0.00 H new ATOM 0 HD2 TYR A 30 111.839 -10.201 16.190 1.00 0.00 H new ATOM 0 HE1 TYR A 30 116.372 -11.730 17.498 1.00 0.00 H new ATOM 0 HE2 TYR A 30 113.645 -8.544 16.575 1.00 0.00 H new ATOM 0 HH TYR A 30 115.781 -8.205 17.130 1.00 0.00 H new ATOM 443 N GLU A 31 111.192 -15.744 14.916 1.00 0.00 N ATOM 444 CA GLU A 31 110.207 -16.809 14.742 1.00 0.00 C ATOM 445 C GLU A 31 109.589 -17.212 16.079 1.00 0.00 C ATOM 446 O GLU A 31 110.283 -17.642 17.000 1.00 0.00 O ATOM 447 CB GLU A 31 110.868 -18.028 14.096 1.00 0.00 C ATOM 448 CG GLU A 31 111.398 -17.649 12.709 1.00 0.00 C ATOM 449 CD GLU A 31 110.267 -17.209 11.777 1.00 0.00 C ATOM 450 OE1 GLU A 31 109.115 -17.507 12.060 1.00 0.00 O ATOM 451 OE2 GLU A 31 110.571 -16.575 10.780 1.00 0.00 O ATOM 0 H GLU A 31 112.137 -16.064 15.127 1.00 0.00 H new ATOM 0 HA GLU A 31 109.414 -16.434 14.095 1.00 0.00 H new ATOM 0 HB2 GLU A 31 111.684 -18.387 14.723 1.00 0.00 H new ATOM 0 HB3 GLU A 31 110.149 -18.843 14.012 1.00 0.00 H new ATOM 0 HG2 GLU A 31 112.126 -16.844 12.804 1.00 0.00 H new ATOM 0 HG3 GLU A 31 111.920 -18.501 12.273 1.00 0.00 H new ATOM 458 N GLU A 32 108.270 -17.063 16.162 1.00 0.00 N ATOM 459 CA GLU A 32 107.516 -17.423 17.359 1.00 0.00 C ATOM 460 C GLU A 32 106.268 -18.222 16.998 1.00 0.00 C ATOM 461 O GLU A 32 105.726 -18.097 15.900 1.00 0.00 O ATOM 462 CB GLU A 32 107.124 -16.181 18.167 1.00 0.00 C ATOM 463 CG GLU A 32 108.352 -15.617 18.887 1.00 0.00 C ATOM 464 CD GLU A 32 109.297 -14.911 17.918 1.00 0.00 C ATOM 465 OE1 GLU A 32 108.849 -14.499 16.862 1.00 0.00 O ATOM 466 OE2 GLU A 32 110.464 -14.792 18.253 1.00 0.00 O ATOM 0 H GLU A 32 107.696 -16.691 15.405 1.00 0.00 H new ATOM 0 HA GLU A 32 108.165 -18.044 17.976 1.00 0.00 H new ATOM 0 HB2 GLU A 32 106.701 -15.425 17.506 1.00 0.00 H new ATOM 0 HB3 GLU A 32 106.352 -16.438 18.893 1.00 0.00 H new ATOM 0 HG2 GLU A 32 108.032 -14.917 19.659 1.00 0.00 H new ATOM 0 HG3 GLU A 32 108.883 -16.425 19.390 1.00 0.00 H new ATOM 473 N ASP A 33 105.825 -19.039 17.943 1.00 0.00 N ATOM 474 CA ASP A 33 104.684 -19.924 17.735 1.00 0.00 C ATOM 475 C ASP A 33 103.377 -19.139 17.756 1.00 0.00 C ATOM 476 O ASP A 33 103.374 -17.909 17.793 1.00 0.00 O ATOM 477 CB ASP A 33 104.653 -21.002 18.822 1.00 0.00 C ATOM 478 CG ASP A 33 105.897 -21.884 18.737 1.00 0.00 C ATOM 479 OD1 ASP A 33 106.404 -22.067 17.642 1.00 0.00 O ATOM 480 OD2 ASP A 33 106.325 -22.366 19.773 1.00 0.00 O ATOM 0 H ASP A 33 106.242 -19.108 18.871 1.00 0.00 H new ATOM 0 HA ASP A 33 104.792 -20.395 16.758 1.00 0.00 H new ATOM 0 HB2 ASP A 33 104.598 -20.534 19.805 1.00 0.00 H new ATOM 0 HB3 ASP A 33 103.758 -21.614 18.710 1.00 0.00 H new ATOM 485 N ASN A 34 102.269 -19.852 17.608 1.00 0.00 N ATOM 486 CA ASN A 34 100.959 -19.218 17.578 1.00 0.00 C ATOM 487 C ASN A 34 100.715 -18.310 18.787 1.00 0.00 C ATOM 488 O ASN A 34 100.044 -17.286 18.649 1.00 0.00 O ATOM 489 CB ASN A 34 99.868 -20.292 17.529 1.00 0.00 C ATOM 490 CG ASN A 34 99.970 -21.094 16.236 1.00 0.00 C ATOM 491 OD1 ASN A 34 100.540 -20.625 15.250 1.00 0.00 O ATOM 492 ND2 ASN A 34 99.446 -22.289 16.179 1.00 0.00 N ATOM 0 H ASN A 34 102.251 -20.867 17.507 1.00 0.00 H new ATOM 0 HA ASN A 34 100.926 -18.594 16.685 1.00 0.00 H new ATOM 0 HB2 ASN A 34 99.966 -20.958 18.386 1.00 0.00 H new ATOM 0 HB3 ASN A 34 98.886 -19.825 17.598 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.509 -22.833 15.318 1.00 0.00 H new ATOM 0 HD22 ASN A 34 98.974 -22.678 16.995 1.00 0.00 H new ATOM 499 N SER A 35 101.251 -18.664 19.961 1.00 0.00 N ATOM 500 CA SER A 35 100.873 -17.947 21.183 1.00 0.00 C ATOM 501 C SER A 35 101.785 -16.758 21.511 1.00 0.00 C ATOM 502 O SER A 35 101.342 -15.823 22.177 1.00 0.00 O ATOM 503 CB SER A 35 100.881 -18.919 22.361 1.00 0.00 C ATOM 504 OG SER A 35 99.950 -18.476 23.340 1.00 0.00 O ATOM 0 H SER A 35 101.926 -19.418 20.090 1.00 0.00 H new ATOM 0 HA SER A 35 99.877 -17.540 21.007 1.00 0.00 H new ATOM 0 HB2 SER A 35 100.621 -19.922 22.022 1.00 0.00 H new ATOM 0 HB3 SER A 35 101.880 -18.978 22.793 1.00 0.00 H new ATOM 0 HG SER A 35 99.951 -19.098 24.097 1.00 0.00 H new ATOM 510 N PRO A 36 103.023 -16.749 21.084 1.00 0.00 N ATOM 511 CA PRO A 36 103.820 -15.493 21.023 1.00 0.00 C ATOM 512 C PRO A 36 103.920 -14.957 19.594 1.00 0.00 C ATOM 513 O PRO A 36 104.208 -15.702 18.658 1.00 0.00 O ATOM 514 CB PRO A 36 105.195 -15.912 21.569 1.00 0.00 C ATOM 515 CG PRO A 36 105.184 -17.407 21.670 1.00 0.00 C ATOM 516 CD PRO A 36 103.923 -17.900 20.959 1.00 0.00 C ATOM 0 HA PRO A 36 103.370 -14.681 21.594 1.00 0.00 H new ATOM 0 HB2 PRO A 36 105.993 -15.575 20.907 1.00 0.00 H new ATOM 0 HB3 PRO A 36 105.378 -15.460 22.544 1.00 0.00 H new ATOM 0 HG2 PRO A 36 106.076 -17.830 21.208 1.00 0.00 H new ATOM 0 HG3 PRO A 36 105.185 -17.722 22.714 1.00 0.00 H new ATOM 0 HD2 PRO A 36 104.117 -18.153 19.917 1.00 0.00 H new ATOM 0 HD3 PRO A 36 103.511 -18.791 21.433 1.00 0.00 H new ATOM 524 N LEU A 37 103.679 -13.658 19.438 1.00 0.00 N ATOM 525 CA LEU A 37 103.658 -13.036 18.115 1.00 0.00 C ATOM 526 C LEU A 37 105.073 -12.798 17.593 1.00 0.00 C ATOM 527 O LEU A 37 106.029 -12.734 18.365 1.00 0.00 O ATOM 528 CB LEU A 37 102.906 -11.704 18.172 1.00 0.00 C ATOM 529 CG LEU A 37 101.489 -11.920 18.713 1.00 0.00 C ATOM 530 CD1 LEU A 37 100.784 -10.568 18.844 1.00 0.00 C ATOM 531 CD2 LEU A 37 100.696 -12.807 17.751 1.00 0.00 C ATOM 0 H LEU A 37 103.496 -13.016 20.209 1.00 0.00 H new ATOM 0 HA LEU A 37 103.148 -13.717 17.434 1.00 0.00 H new ATOM 0 HB2 LEU A 37 103.443 -11.002 18.809 1.00 0.00 H new ATOM 0 HB3 LEU A 37 102.860 -11.261 17.177 1.00 0.00 H new ATOM 0 HG LEU A 37 101.548 -12.404 19.688 1.00 0.00 H new ATOM 0 HD11 LEU A 37 99.775 -10.719 19.229 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.343 -9.931 19.530 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.731 -10.089 17.866 1.00 0.00 H new ATOM 0 HD21 LEU A 37 99.689 -12.957 18.141 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.639 -12.325 16.775 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.194 -13.771 17.651 1.00 0.00 H new ATOM 543 N GLY A 38 105.195 -12.667 16.274 1.00 0.00 N ATOM 544 CA GLY A 38 106.495 -12.436 15.649 1.00 0.00 C ATOM 545 C GLY A 38 106.845 -10.952 15.674 1.00 0.00 C ATOM 546 O GLY A 38 105.974 -10.113 15.465 1.00 0.00 O ATOM 0 H GLY A 38 104.414 -12.717 15.620 1.00 0.00 H new ATOM 0 HA2 GLY A 38 107.263 -13.005 16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 38 106.479 -12.794 14.620 1.00 0.00 H new ATOM 550 N VAL A 39 108.110 -10.623 15.932 1.00 0.00 N ATOM 551 CA VAL A 39 108.513 -9.219 16.026 1.00 0.00 C ATOM 552 C VAL A 39 109.293 -8.821 14.777 1.00 0.00 C ATOM 553 O VAL A 39 110.284 -9.461 14.426 1.00 0.00 O ATOM 554 CB VAL A 39 109.378 -8.998 17.273 1.00 0.00 C ATOM 555 CG1 VAL A 39 109.717 -7.511 17.413 1.00 0.00 C ATOM 556 CG2 VAL A 39 108.615 -9.453 18.520 1.00 0.00 C ATOM 0 H VAL A 39 108.863 -11.296 16.078 1.00 0.00 H new ATOM 0 HA VAL A 39 107.619 -8.600 16.104 1.00 0.00 H new ATOM 0 HB VAL A 39 110.296 -9.576 17.172 1.00 0.00 H new ATOM 0 HG11 VAL A 39 110.332 -7.360 18.300 1.00 0.00 H new ATOM 0 HG12 VAL A 39 110.265 -7.178 16.531 1.00 0.00 H new ATOM 0 HG13 VAL A 39 108.796 -6.935 17.507 1.00 0.00 H new ATOM 0 HG21 VAL A 39 109.234 -9.294 19.403 1.00 0.00 H new ATOM 0 HG22 VAL A 39 107.694 -8.877 18.613 1.00 0.00 H new ATOM 0 HG23 VAL A 39 108.373 -10.512 18.432 1.00 0.00 H new ATOM 566 N ILE A 40 108.843 -7.760 14.108 1.00 0.00 N ATOM 567 CA ILE A 40 109.526 -7.274 12.913 1.00 0.00 C ATOM 568 C ILE A 40 109.969 -5.835 13.132 1.00 0.00 C ATOM 569 O ILE A 40 109.220 -5.038 13.693 1.00 0.00 O ATOM 570 CB ILE A 40 108.591 -7.341 11.698 1.00 0.00 C ATOM 571 CG1 ILE A 40 108.077 -8.772 11.514 1.00 0.00 C ATOM 572 CG2 ILE A 40 109.356 -6.922 10.436 1.00 0.00 C ATOM 573 CD1 ILE A 40 106.942 -8.785 10.487 1.00 0.00 C ATOM 0 H ILE A 40 108.015 -7.225 14.371 1.00 0.00 H new ATOM 0 HA ILE A 40 110.395 -7.904 12.724 1.00 0.00 H new ATOM 0 HB ILE A 40 107.749 -6.668 11.863 1.00 0.00 H new ATOM 0 HG12 ILE A 40 108.888 -9.420 11.182 1.00 0.00 H new ATOM 0 HG13 ILE A 40 107.723 -9.167 12.466 1.00 0.00 H new ATOM 0 HG21 ILE A 40 108.690 -6.970 9.574 1.00 0.00 H new ATOM 0 HG22 ILE A 40 109.723 -5.902 10.555 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.199 -7.595 10.281 1.00 0.00 H new ATOM 0 HD11 ILE A 40 106.579 -9.805 10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 40 106.127 -8.151 10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 40 107.310 -8.408 9.533 1.00 0.00 H new ATOM 585 N GLY A 41 111.186 -5.526 12.698 1.00 0.00 N ATOM 586 CA GLY A 41 111.695 -4.159 12.752 1.00 0.00 C ATOM 587 C GLY A 41 112.353 -3.806 11.426 1.00 0.00 C ATOM 588 O GLY A 41 113.072 -4.625 10.856 1.00 0.00 O ATOM 0 H GLY A 41 111.839 -6.203 12.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 110.881 -3.465 12.961 1.00 0.00 H new ATOM 0 HA3 GLY A 41 112.415 -4.060 13.564 1.00 0.00 H new ATOM 592 N SER A 42 112.101 -2.598 10.927 1.00 0.00 N ATOM 593 CA SER A 42 112.617 -2.206 9.618 1.00 0.00 C ATOM 594 C SER A 42 113.191 -0.796 9.655 1.00 0.00 C ATOM 595 O SER A 42 112.640 0.090 10.308 1.00 0.00 O ATOM 596 CB SER A 42 111.492 -2.263 8.585 1.00 0.00 C ATOM 597 OG SER A 42 112.049 -2.159 7.281 1.00 0.00 O ATOM 0 H SER A 42 111.550 -1.882 11.402 1.00 0.00 H new ATOM 0 HA SER A 42 113.413 -2.899 9.345 1.00 0.00 H new ATOM 0 HB2 SER A 42 110.939 -3.197 8.684 1.00 0.00 H new ATOM 0 HB3 SER A 42 110.783 -1.453 8.756 1.00 0.00 H new ATOM 0 HG SER A 42 112.955 -2.533 7.281 1.00 0.00 H new ATOM 603 N PHE A 43 114.302 -0.603 8.950 1.00 0.00 N ATOM 604 CA PHE A 43 114.910 0.719 8.825 1.00 0.00 C ATOM 605 C PHE A 43 114.895 1.138 7.360 1.00 0.00 C ATOM 606 O PHE A 43 115.256 0.344 6.493 1.00 0.00 O ATOM 607 CB PHE A 43 116.352 0.684 9.337 1.00 0.00 C ATOM 608 CG PHE A 43 116.461 0.324 10.799 1.00 0.00 C ATOM 609 CD1 PHE A 43 116.325 1.316 11.776 1.00 0.00 C ATOM 610 CD2 PHE A 43 116.697 -1.004 11.178 1.00 0.00 C ATOM 611 CE1 PHE A 43 116.429 0.982 13.133 1.00 0.00 C ATOM 612 CE2 PHE A 43 116.798 -1.338 12.533 1.00 0.00 C ATOM 613 CZ PHE A 43 116.664 -0.345 13.510 1.00 0.00 C ATOM 0 H PHE A 43 114.800 -1.344 8.457 1.00 0.00 H new ATOM 0 HA PHE A 43 114.344 1.436 9.419 1.00 0.00 H new ATOM 0 HB2 PHE A 43 116.921 -0.037 8.750 1.00 0.00 H new ATOM 0 HB3 PHE A 43 116.811 1.659 9.176 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.140 2.339 11.484 1.00 0.00 H new ATOM 0 HD2 PHE A 43 116.801 -1.770 10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 43 116.328 1.748 13.887 1.00 0.00 H new ATOM 0 HE2 PHE A 43 116.979 -2.362 12.825 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.742 -0.603 14.556 1.00 0.00 H new ATOM 623 N THR A 44 114.466 2.370 7.086 1.00 0.00 N ATOM 624 CA THR A 44 114.353 2.836 5.705 1.00 0.00 C ATOM 625 C THR A 44 115.047 4.182 5.516 1.00 0.00 C ATOM 626 O THR A 44 114.949 5.063 6.371 1.00 0.00 O ATOM 627 CB THR A 44 112.876 2.968 5.323 1.00 0.00 C ATOM 628 OG1 THR A 44 112.209 1.746 5.600 1.00 0.00 O ATOM 629 CG2 THR A 44 112.756 3.290 3.833 1.00 0.00 C ATOM 0 H THR A 44 114.194 3.055 7.792 1.00 0.00 H new ATOM 0 HA THR A 44 114.840 2.104 5.061 1.00 0.00 H new ATOM 0 HB THR A 44 112.422 3.772 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 44 111.263 1.828 5.358 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.704 3.383 3.565 1.00 0.00 H new ATOM 0 HG22 THR A 44 113.269 4.228 3.621 1.00 0.00 H new ATOM 0 HG23 THR A 44 113.210 2.489 3.250 1.00 0.00 H new ATOM 637 N TYR A 45 115.743 4.317 4.389 1.00 0.00 N ATOM 638 CA TYR A 45 116.364 5.584 4.011 1.00 0.00 C ATOM 639 C TYR A 45 115.877 5.975 2.621 1.00 0.00 C ATOM 640 O TYR A 45 115.942 5.156 1.707 1.00 0.00 O ATOM 641 CB TYR A 45 117.888 5.435 3.981 1.00 0.00 C ATOM 642 CG TYR A 45 118.487 4.953 5.281 1.00 0.00 C ATOM 643 CD1 TYR A 45 118.882 5.879 6.255 1.00 0.00 C ATOM 644 CD2 TYR A 45 118.650 3.583 5.511 1.00 0.00 C ATOM 645 CE1 TYR A 45 119.444 5.430 7.456 1.00 0.00 C ATOM 646 CE2 TYR A 45 119.210 3.135 6.713 1.00 0.00 C ATOM 647 CZ TYR A 45 119.606 4.060 7.686 1.00 0.00 C ATOM 648 OH TYR A 45 120.161 3.618 8.872 1.00 0.00 O ATOM 0 H TYR A 45 115.891 3.562 3.720 1.00 0.00 H new ATOM 0 HA TYR A 45 116.093 6.349 4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 45 118.158 4.737 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 45 118.331 6.397 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 45 118.753 6.937 6.080 1.00 0.00 H new ATOM 0 HD2 TYR A 45 118.343 2.870 4.760 1.00 0.00 H new ATOM 0 HE1 TYR A 45 119.753 6.143 8.206 1.00 0.00 H new ATOM 0 HE2 TYR A 45 119.336 2.077 6.889 1.00 0.00 H new ATOM 0 HH TYR A 45 120.200 2.639 8.870 1.00 0.00 H new ATOM 658 N THR A 46 115.405 7.210 2.448 1.00 0.00 N ATOM 659 CA THR A 46 114.851 7.630 1.157 1.00 0.00 C ATOM 660 C THR A 46 115.554 8.881 0.642 1.00 0.00 C ATOM 661 O THR A 46 115.956 9.745 1.422 1.00 0.00 O ATOM 662 CB THR A 46 113.351 7.905 1.290 1.00 0.00 C ATOM 663 OG1 THR A 46 112.747 6.871 2.055 1.00 0.00 O ATOM 664 CG2 THR A 46 112.711 7.941 -0.101 1.00 0.00 C ATOM 0 H THR A 46 115.394 7.928 3.172 1.00 0.00 H new ATOM 0 HA THR A 46 115.011 6.821 0.444 1.00 0.00 H new ATOM 0 HB THR A 46 113.202 8.864 1.786 1.00 0.00 H new ATOM 0 HG1 THR A 46 112.550 7.203 2.956 1.00 0.00 H new ATOM 0 HG21 THR A 46 111.643 8.137 -0.005 1.00 0.00 H new ATOM 0 HG22 THR A 46 113.173 8.731 -0.694 1.00 0.00 H new ATOM 0 HG23 THR A 46 112.861 6.981 -0.595 1.00 0.00 H new ATOM 672 N GLU A 47 115.696 8.970 -0.677 1.00 0.00 N ATOM 673 CA GLU A 47 116.370 10.104 -1.298 1.00 0.00 C ATOM 674 C GLU A 47 115.540 10.645 -2.457 1.00 0.00 C ATOM 675 O GLU A 47 114.758 9.911 -3.066 1.00 0.00 O ATOM 676 CB GLU A 47 117.746 9.673 -1.812 1.00 0.00 C ATOM 677 CG GLU A 47 118.606 9.193 -0.638 1.00 0.00 C ATOM 678 CD GLU A 47 118.848 10.315 0.375 1.00 0.00 C ATOM 679 OE1 GLU A 47 118.666 11.473 0.034 1.00 0.00 O ATOM 680 OE2 GLU A 47 119.217 9.993 1.494 1.00 0.00 O ATOM 0 H GLU A 47 115.353 8.271 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 47 116.490 10.889 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 47 117.637 8.875 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 47 118.234 10.507 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 47 118.114 8.355 -0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 47 119.562 8.826 -1.012 1.00 0.00 H new ATOM 687 N LYS A 48 115.717 11.929 -2.750 1.00 0.00 N ATOM 688 CA LYS A 48 115.015 12.572 -3.855 1.00 0.00 C ATOM 689 C LYS A 48 116.013 13.025 -4.915 1.00 0.00 C ATOM 690 O LYS A 48 117.132 13.427 -4.591 1.00 0.00 O ATOM 691 CB LYS A 48 114.229 13.781 -3.342 1.00 0.00 C ATOM 692 CG LYS A 48 113.365 14.346 -4.472 1.00 0.00 C ATOM 693 CD LYS A 48 112.646 15.605 -3.985 1.00 0.00 C ATOM 694 CE LYS A 48 111.666 16.082 -5.059 1.00 0.00 C ATOM 695 NZ LYS A 48 111.003 17.337 -4.604 1.00 0.00 N ATOM 0 H LYS A 48 116.344 12.547 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 48 114.324 11.854 -4.297 1.00 0.00 H new ATOM 0 HB2 LYS A 48 113.600 13.489 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 48 114.915 14.546 -2.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 113.986 14.581 -5.336 1.00 0.00 H new ATOM 0 HG3 LYS A 48 112.638 13.601 -4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 48 112.112 15.396 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.371 16.389 -3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 48 112.194 16.256 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 48 110.919 15.313 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 110.337 17.662 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 110.487 17.156 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 111.722 18.070 -4.441 1.00 0.00 H new ATOM 709 N SER A 49 115.608 12.959 -6.180 1.00 0.00 N ATOM 710 CA SER A 49 116.502 13.328 -7.273 1.00 0.00 C ATOM 711 C SER A 49 117.012 14.756 -7.100 1.00 0.00 C ATOM 712 O SER A 49 116.259 15.654 -6.722 1.00 0.00 O ATOM 713 CB SER A 49 115.767 13.207 -8.609 1.00 0.00 C ATOM 714 OG SER A 49 115.294 11.875 -8.762 1.00 0.00 O ATOM 0 H SER A 49 114.678 12.657 -6.472 1.00 0.00 H new ATOM 0 HA SER A 49 117.355 12.649 -7.260 1.00 0.00 H new ATOM 0 HB2 SER A 49 114.933 13.908 -8.644 1.00 0.00 H new ATOM 0 HB3 SER A 49 116.435 13.465 -9.430 1.00 0.00 H new ATOM 0 HG SER A 49 114.820 11.792 -9.616 1.00 0.00 H new ATOM 720 N ARG A 50 118.294 14.954 -7.380 1.00 0.00 N ATOM 721 CA ARG A 50 118.911 16.270 -7.247 1.00 0.00 C ATOM 722 C ARG A 50 118.280 17.280 -8.201 1.00 0.00 C ATOM 723 O ARG A 50 118.124 18.453 -7.859 1.00 0.00 O ATOM 724 CB ARG A 50 120.410 16.170 -7.533 1.00 0.00 C ATOM 725 CG ARG A 50 121.078 15.288 -6.475 1.00 0.00 C ATOM 726 CD ARG A 50 122.594 15.286 -6.690 1.00 0.00 C ATOM 727 NE ARG A 50 122.917 14.826 -8.045 1.00 0.00 N ATOM 728 CZ ARG A 50 124.165 14.781 -8.532 1.00 0.00 C ATOM 729 NH1 ARG A 50 125.206 15.150 -7.825 1.00 0.00 N ATOM 730 NH2 ARG A 50 124.350 14.356 -9.752 1.00 0.00 N ATOM 0 H ARG A 50 118.927 14.221 -7.700 1.00 0.00 H new ATOM 0 HA ARG A 50 118.748 16.615 -6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 50 120.574 15.751 -8.526 1.00 0.00 H new ATOM 0 HB3 ARG A 50 120.858 17.164 -7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 50 120.843 15.658 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 50 120.690 14.271 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 50 122.991 16.289 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 50 123.071 14.637 -5.955 1.00 0.00 H new ATOM 0 HE ARG A 50 122.152 14.525 -8.648 1.00 0.00 H new ATOM 0 HH11 ARG A 50 125.081 15.485 -6.870 1.00 0.00 H new ATOM 0 HH12 ARG A 50 126.141 15.102 -8.230 1.00 0.00 H new ATOM 0 HH21 ARG A 50 123.552 14.065 -10.317 1.00 0.00 H new ATOM 0 HH22 ARG A 50 125.292 14.315 -10.140 1.00 0.00 H new ATOM 744 N THR A 51 117.912 16.824 -9.396 1.00 0.00 N ATOM 745 CA THR A 51 117.390 17.725 -10.415 1.00 0.00 C ATOM 746 C THR A 51 116.007 18.245 -10.034 1.00 0.00 C ATOM 747 O THR A 51 115.090 17.469 -9.761 1.00 0.00 O ATOM 748 CB THR A 51 117.307 16.997 -11.758 1.00 0.00 C ATOM 749 OG1 THR A 51 118.571 16.422 -12.060 1.00 0.00 O ATOM 750 CG2 THR A 51 116.922 17.987 -12.859 1.00 0.00 C ATOM 0 H THR A 51 117.965 15.845 -9.679 1.00 0.00 H new ATOM 0 HA THR A 51 118.069 18.574 -10.495 1.00 0.00 H new ATOM 0 HB THR A 51 116.552 16.213 -11.699 1.00 0.00 H new ATOM 0 HG1 THR A 51 118.520 15.953 -12.919 1.00 0.00 H new ATOM 0 HG21 THR A 51 116.864 17.465 -13.814 1.00 0.00 H new ATOM 0 HG22 THR A 51 115.953 18.429 -12.628 1.00 0.00 H new ATOM 0 HG23 THR A 51 117.674 18.773 -12.921 1.00 0.00 H new ATOM 758 N ALA A 52 115.871 19.567 -10.019 1.00 0.00 N ATOM 759 CA ALA A 52 114.587 20.201 -9.745 1.00 0.00 C ATOM 760 C ALA A 52 114.335 21.316 -10.757 1.00 0.00 C ATOM 761 O ALA A 52 115.278 21.944 -11.242 1.00 0.00 O ATOM 762 CB ALA A 52 114.576 20.779 -8.328 1.00 0.00 C ATOM 0 H ALA A 52 116.635 20.220 -10.194 1.00 0.00 H new ATOM 0 HA ALA A 52 113.799 19.452 -9.829 1.00 0.00 H new ATOM 0 HB1 ALA A 52 113.612 21.250 -8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 52 114.740 19.978 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 52 115.368 21.521 -8.232 1.00 0.00 H new ATOM 768 N SER A 53 113.067 21.560 -11.073 1.00 0.00 N ATOM 769 CA SER A 53 112.724 22.597 -12.041 1.00 0.00 C ATOM 770 C SER A 53 113.215 23.960 -11.563 1.00 0.00 C ATOM 771 O SER A 53 113.909 24.669 -12.291 1.00 0.00 O ATOM 772 CB SER A 53 111.210 22.641 -12.243 1.00 0.00 C ATOM 773 OG SER A 53 110.909 23.499 -13.335 1.00 0.00 O ATOM 0 H SER A 53 112.269 21.061 -10.679 1.00 0.00 H new ATOM 0 HA SER A 53 113.210 22.360 -12.987 1.00 0.00 H new ATOM 0 HB2 SER A 53 110.828 21.639 -12.436 1.00 0.00 H new ATOM 0 HB3 SER A 53 110.721 23.000 -11.338 1.00 0.00 H new ATOM 0 HG SER A 53 109.939 23.529 -13.469 1.00 0.00 H new ATOM 779 N SER A 54 112.851 24.320 -10.336 1.00 0.00 N ATOM 780 CA SER A 54 113.267 25.597 -9.765 1.00 0.00 C ATOM 781 C SER A 54 114.469 25.423 -8.838 1.00 0.00 C ATOM 782 O SER A 54 115.367 26.264 -8.807 1.00 0.00 O ATOM 783 CB SER A 54 112.106 26.219 -8.988 1.00 0.00 C ATOM 784 OG SER A 54 111.267 26.927 -9.889 1.00 0.00 O ATOM 0 H SER A 54 112.272 23.749 -9.720 1.00 0.00 H new ATOM 0 HA SER A 54 113.558 26.255 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 54 111.537 25.442 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 54 112.486 26.893 -8.220 1.00 0.00 H new ATOM 0 HG SER A 54 110.520 27.326 -9.396 1.00 0.00 H new ATOM 790 N GLY A 55 114.477 24.328 -8.084 1.00 0.00 N ATOM 791 CA GLY A 55 115.526 24.090 -7.096 1.00 0.00 C ATOM 792 C GLY A 55 116.877 23.763 -7.736 1.00 0.00 C ATOM 793 O GLY A 55 117.915 24.019 -7.128 1.00 0.00 O ATOM 0 H GLY A 55 113.772 23.593 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 55 115.632 24.972 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 55 115.228 23.267 -6.446 1.00 0.00 H new ATOM 797 N ASP A 56 116.855 23.201 -8.944 1.00 0.00 N ATOM 798 CA ASP A 56 118.073 22.774 -9.633 1.00 0.00 C ATOM 799 C ASP A 56 118.737 21.606 -8.898 1.00 0.00 C ATOM 800 O ASP A 56 118.585 20.456 -9.307 1.00 0.00 O ATOM 801 CB ASP A 56 119.051 23.945 -9.804 1.00 0.00 C ATOM 802 CG ASP A 56 118.348 25.115 -10.483 1.00 0.00 C ATOM 803 OD1 ASP A 56 117.791 25.938 -9.774 1.00 0.00 O ATOM 804 OD2 ASP A 56 118.376 25.172 -11.701 1.00 0.00 O ATOM 0 H ASP A 56 115.998 23.029 -9.470 1.00 0.00 H new ATOM 0 HA ASP A 56 117.791 22.428 -10.627 1.00 0.00 H new ATOM 0 HB2 ASP A 56 119.434 24.255 -8.832 1.00 0.00 H new ATOM 0 HB3 ASP A 56 119.908 23.630 -10.399 1.00 0.00 H new ATOM 809 N TYR A 57 119.471 21.886 -7.822 1.00 0.00 N ATOM 810 CA TYR A 57 120.069 20.825 -7.015 1.00 0.00 C ATOM 811 C TYR A 57 119.433 20.798 -5.630 1.00 0.00 C ATOM 812 O TYR A 57 119.385 21.816 -4.940 1.00 0.00 O ATOM 813 CB TYR A 57 121.576 21.059 -6.880 1.00 0.00 C ATOM 814 CG TYR A 57 122.303 21.066 -8.204 1.00 0.00 C ATOM 815 CD1 TYR A 57 122.661 19.858 -8.814 1.00 0.00 C ATOM 816 CD2 TYR A 57 122.623 22.282 -8.819 1.00 0.00 C ATOM 817 CE1 TYR A 57 123.336 19.866 -10.040 1.00 0.00 C ATOM 818 CE2 TYR A 57 123.299 22.292 -10.046 1.00 0.00 C ATOM 819 CZ TYR A 57 123.656 21.082 -10.656 1.00 0.00 C ATOM 820 OH TYR A 57 124.322 21.089 -11.865 1.00 0.00 O ATOM 0 H TYR A 57 119.665 22.831 -7.491 1.00 0.00 H new ATOM 0 HA TYR A 57 119.894 19.869 -7.508 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.745 22.011 -6.376 1.00 0.00 H new ATOM 0 HB3 TYR A 57 122.001 20.282 -6.244 1.00 0.00 H new ATOM 0 HD1 TYR A 57 122.416 18.920 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 57 122.348 23.214 -8.347 1.00 0.00 H new ATOM 0 HE1 TYR A 57 123.610 18.934 -10.511 1.00 0.00 H new ATOM 0 HE2 TYR A 57 123.545 23.230 -10.521 1.00 0.00 H new ATOM 0 HH TYR A 57 124.465 22.014 -12.154 1.00 0.00 H new ATOM 830 N ASN A 58 118.944 19.627 -5.227 1.00 0.00 N ATOM 831 CA ASN A 58 118.297 19.485 -3.925 1.00 0.00 C ATOM 832 C ASN A 58 118.781 18.227 -3.212 1.00 0.00 C ATOM 833 O ASN A 58 119.164 17.247 -3.853 1.00 0.00 O ATOM 834 CB ASN A 58 116.779 19.412 -4.104 1.00 0.00 C ATOM 835 CG ASN A 58 116.245 20.719 -4.685 1.00 0.00 C ATOM 836 OD1 ASN A 58 116.897 21.760 -4.589 1.00 0.00 O ATOM 837 ND2 ASN A 58 115.088 20.727 -5.287 1.00 0.00 N ATOM 0 H ASN A 58 118.983 18.770 -5.778 1.00 0.00 H new ATOM 0 HA ASN A 58 118.556 20.353 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 58 116.524 18.583 -4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 58 116.303 19.213 -3.144 1.00 0.00 H new ATOM 0 HD21 ASN A 58 114.723 21.595 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 58 114.548 19.865 -5.366 1.00 0.00 H new ATOM 844 N LYS A 59 118.762 18.262 -1.883 1.00 0.00 N ATOM 845 CA LYS A 59 119.146 17.101 -1.089 1.00 0.00 C ATOM 846 C LYS A 59 118.175 16.910 0.072 1.00 0.00 C ATOM 847 O LYS A 59 118.012 17.796 0.910 1.00 0.00 O ATOM 848 CB LYS A 59 120.566 17.285 -0.546 1.00 0.00 C ATOM 849 CG LYS A 59 121.014 16.005 0.165 1.00 0.00 C ATOM 850 CD LYS A 59 122.398 16.217 0.779 1.00 0.00 C ATOM 851 CE LYS A 59 122.910 14.894 1.353 1.00 0.00 C ATOM 852 NZ LYS A 59 124.118 15.150 2.188 1.00 0.00 N ATOM 0 H LYS A 59 118.486 19.078 -1.336 1.00 0.00 H new ATOM 0 HA LYS A 59 119.115 16.217 -1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 59 121.251 17.519 -1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 59 120.595 18.127 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 59 120.297 15.739 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 59 121.042 15.175 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 59 123.090 16.590 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 59 122.347 16.971 1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 59 122.133 14.421 1.954 1.00 0.00 H new ATOM 0 HE3 LYS A 59 123.153 14.204 0.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 124.751 14.326 2.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 124.617 15.989 1.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 123.830 15.314 3.174 1.00 0.00 H new ATOM 866 N ASN A 60 117.531 15.746 0.111 1.00 0.00 N ATOM 867 CA ASN A 60 116.581 15.434 1.176 1.00 0.00 C ATOM 868 C ASN A 60 116.900 14.073 1.786 1.00 0.00 C ATOM 869 O ASN A 60 117.037 13.082 1.071 1.00 0.00 O ATOM 870 CB ASN A 60 115.157 15.422 0.616 1.00 0.00 C ATOM 871 CG ASN A 60 114.147 15.413 1.758 1.00 0.00 C ATOM 872 OD1 ASN A 60 114.097 16.353 2.552 1.00 0.00 O ATOM 873 ND2 ASN A 60 113.334 14.400 1.890 1.00 0.00 N ATOM 0 H ASN A 60 117.649 15.005 -0.580 1.00 0.00 H new ATOM 0 HA ASN A 60 116.660 16.198 1.949 1.00 0.00 H new ATOM 0 HB2 ASN A 60 114.998 16.297 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 60 115.013 14.545 -0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 60 112.656 14.386 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 60 113.377 13.622 1.231 1.00 0.00 H new ATOM 880 N GLN A 61 117.014 14.029 3.112 1.00 0.00 N ATOM 881 CA GLN A 61 117.324 12.781 3.805 1.00 0.00 C ATOM 882 C GLN A 61 116.118 12.329 4.617 1.00 0.00 C ATOM 883 O GLN A 61 115.508 13.133 5.321 1.00 0.00 O ATOM 884 CB GLN A 61 118.521 12.984 4.735 1.00 0.00 C ATOM 885 CG GLN A 61 118.923 11.638 5.351 1.00 0.00 C ATOM 886 CD GLN A 61 120.153 11.792 6.247 1.00 0.00 C ATOM 887 OE1 GLN A 61 120.782 12.851 6.284 1.00 0.00 O ATOM 888 NE2 GLN A 61 120.536 10.784 6.980 1.00 0.00 N ATOM 0 H GLN A 61 116.897 14.837 3.724 1.00 0.00 H new ATOM 0 HA GLN A 61 117.569 12.017 3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 61 119.359 13.407 4.180 1.00 0.00 H new ATOM 0 HB3 GLN A 61 118.268 13.695 5.521 1.00 0.00 H new ATOM 0 HG2 GLN A 61 118.093 11.237 5.933 1.00 0.00 H new ATOM 0 HG3 GLN A 61 119.133 10.919 4.559 1.00 0.00 H new ATOM 0 HE21 GLN A 61 120.017 9.906 6.951 1.00 0.00 H new ATOM 0 HE22 GLN A 61 121.354 10.873 7.582 1.00 0.00 H new ATOM 897 N TYR A 62 115.768 11.052 4.501 1.00 0.00 N ATOM 898 CA TYR A 62 114.631 10.505 5.235 1.00 0.00 C ATOM 899 C TYR A 62 115.073 9.310 6.070 1.00 0.00 C ATOM 900 O TYR A 62 115.829 8.459 5.605 1.00 0.00 O ATOM 901 CB TYR A 62 113.551 10.058 4.253 1.00 0.00 C ATOM 902 CG TYR A 62 112.254 9.658 4.919 1.00 0.00 C ATOM 903 CD1 TYR A 62 112.048 8.330 5.311 1.00 0.00 C ATOM 904 CD2 TYR A 62 111.256 10.616 5.138 1.00 0.00 C ATOM 905 CE1 TYR A 62 110.844 7.959 5.922 1.00 0.00 C ATOM 906 CE2 TYR A 62 110.053 10.245 5.749 1.00 0.00 C ATOM 907 CZ TYR A 62 109.846 8.917 6.141 1.00 0.00 C ATOM 908 OH TYR A 62 108.659 8.551 6.743 1.00 0.00 O ATOM 0 H TYR A 62 116.253 10.378 3.908 1.00 0.00 H new ATOM 0 HA TYR A 62 114.233 11.278 5.893 1.00 0.00 H new ATOM 0 HB2 TYR A 62 113.354 10.867 3.550 1.00 0.00 H new ATOM 0 HB3 TYR A 62 113.926 9.215 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 62 112.818 7.592 5.142 1.00 0.00 H new ATOM 0 HD2 TYR A 62 111.415 11.641 4.835 1.00 0.00 H new ATOM 0 HE1 TYR A 62 110.685 6.934 6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 62 109.284 10.984 5.918 1.00 0.00 H new ATOM 0 HH TYR A 62 108.076 9.335 6.821 1.00 0.00 H new ATOM 918 N TYR A 63 114.605 9.261 7.312 1.00 0.00 N ATOM 919 CA TYR A 63 114.918 8.143 8.194 1.00 0.00 C ATOM 920 C TYR A 63 113.653 7.685 8.907 1.00 0.00 C ATOM 921 O TYR A 63 112.942 8.506 9.485 1.00 0.00 O ATOM 922 CB TYR A 63 115.963 8.573 9.223 1.00 0.00 C ATOM 923 CG TYR A 63 116.347 7.480 10.191 1.00 0.00 C ATOM 924 CD1 TYR A 63 117.286 6.514 9.817 1.00 0.00 C ATOM 925 CD2 TYR A 63 115.768 7.438 11.465 1.00 0.00 C ATOM 926 CE1 TYR A 63 117.645 5.502 10.715 1.00 0.00 C ATOM 927 CE2 TYR A 63 116.128 6.426 12.363 1.00 0.00 C ATOM 928 CZ TYR A 63 117.067 5.457 11.988 1.00 0.00 C ATOM 929 OH TYR A 63 117.422 4.460 12.873 1.00 0.00 O ATOM 0 H TYR A 63 114.011 9.978 7.729 1.00 0.00 H new ATOM 0 HA TYR A 63 115.317 7.319 7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 63 116.857 8.913 8.700 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.578 9.425 9.784 1.00 0.00 H new ATOM 0 HD1 TYR A 63 117.734 6.549 8.835 1.00 0.00 H new ATOM 0 HD2 TYR A 63 115.044 8.186 11.755 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.369 4.755 10.425 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.681 6.393 13.346 1.00 0.00 H new ATOM 0 HH TYR A 63 117.129 3.593 12.523 1.00 0.00 H new ATOM 939 N GLY A 64 113.354 6.389 8.838 1.00 0.00 N ATOM 940 CA GLY A 64 112.159 5.866 9.496 1.00 0.00 C ATOM 941 C GLY A 64 112.436 4.540 10.193 1.00 0.00 C ATOM 942 O GLY A 64 113.156 3.692 9.665 1.00 0.00 O ATOM 0 H GLY A 64 113.911 5.693 8.343 1.00 0.00 H new ATOM 0 HA2 GLY A 64 111.797 6.592 10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.367 5.732 8.759 1.00 0.00 H new ATOM 946 N ILE A 65 111.851 4.374 11.378 1.00 0.00 N ATOM 947 CA ILE A 65 111.952 3.117 12.115 1.00 0.00 C ATOM 948 C ILE A 65 110.548 2.582 12.370 1.00 0.00 C ATOM 949 O ILE A 65 109.715 3.277 12.952 1.00 0.00 O ATOM 950 CB ILE A 65 112.675 3.332 13.450 1.00 0.00 C ATOM 951 CG1 ILE A 65 114.056 3.944 13.195 1.00 0.00 C ATOM 952 CG2 ILE A 65 112.843 1.991 14.166 1.00 0.00 C ATOM 953 CD1 ILE A 65 114.707 4.311 14.532 1.00 0.00 C ATOM 0 H ILE A 65 111.302 5.094 11.848 1.00 0.00 H new ATOM 0 HA ILE A 65 112.525 2.400 11.526 1.00 0.00 H new ATOM 0 HB ILE A 65 112.086 4.006 14.071 1.00 0.00 H new ATOM 0 HG12 ILE A 65 114.685 3.237 12.654 1.00 0.00 H new ATOM 0 HG13 ILE A 65 113.962 4.831 12.568 1.00 0.00 H new ATOM 0 HG21 ILE A 65 113.357 2.147 15.114 1.00 0.00 H new ATOM 0 HG22 ILE A 65 111.863 1.553 14.352 1.00 0.00 H new ATOM 0 HG23 ILE A 65 113.429 1.316 13.542 1.00 0.00 H new ATOM 0 HD11 ILE A 65 115.690 4.746 14.351 1.00 0.00 H new ATOM 0 HD12 ILE A 65 114.081 5.034 15.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 114.814 3.414 15.143 1.00 0.00 H new ATOM 965 N THR A 66 110.280 1.363 11.910 1.00 0.00 N ATOM 966 CA THR A 66 108.947 0.778 12.040 1.00 0.00 C ATOM 967 C THR A 66 109.020 -0.552 12.786 1.00 0.00 C ATOM 968 O THR A 66 110.003 -1.280 12.663 1.00 0.00 O ATOM 969 CB THR A 66 108.346 0.559 10.650 1.00 0.00 C ATOM 970 OG1 THR A 66 108.700 1.647 9.807 1.00 0.00 O ATOM 971 CG2 THR A 66 106.824 0.484 10.754 1.00 0.00 C ATOM 0 H THR A 66 110.963 0.764 11.447 1.00 0.00 H new ATOM 0 HA THR A 66 108.315 1.462 12.607 1.00 0.00 H new ATOM 0 HB THR A 66 108.730 -0.373 10.235 1.00 0.00 H new ATOM 0 HG1 THR A 66 108.318 1.508 8.915 1.00 0.00 H new ATOM 0 HG21 THR A 66 106.399 0.328 9.763 1.00 0.00 H new ATOM 0 HG22 THR A 66 106.544 -0.345 11.403 1.00 0.00 H new ATOM 0 HG23 THR A 66 106.441 1.416 11.170 1.00 0.00 H new ATOM 979 N ALA A 67 107.977 -0.867 13.549 1.00 0.00 N ATOM 980 CA ALA A 67 107.928 -2.131 14.273 1.00 0.00 C ATOM 981 C ALA A 67 106.488 -2.626 14.330 1.00 0.00 C ATOM 982 O ALA A 67 105.564 -1.808 14.346 1.00 0.00 O ATOM 983 CB ALA A 67 108.471 -1.953 15.691 1.00 0.00 C ATOM 0 H ALA A 67 107.161 -0.269 13.681 1.00 0.00 H new ATOM 0 HA ALA A 67 108.546 -2.863 13.753 1.00 0.00 H new ATOM 0 HB1 ALA A 67 108.428 -2.905 16.219 1.00 0.00 H new ATOM 0 HB2 ALA A 67 109.505 -1.610 15.644 1.00 0.00 H new ATOM 0 HB3 ALA A 67 107.868 -1.216 16.222 1.00 0.00 H new ATOM 989 N GLY A 68 106.288 -3.946 14.317 1.00 0.00 N ATOM 990 CA GLY A 68 104.927 -4.476 14.327 1.00 0.00 C ATOM 991 C GLY A 68 104.869 -5.980 14.600 1.00 0.00 C ATOM 992 O GLY A 68 105.906 -6.644 14.622 1.00 0.00 O ATOM 0 H GLY A 68 107.028 -4.648 14.300 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.346 -3.953 15.086 1.00 0.00 H new ATOM 0 HA3 GLY A 68 104.456 -4.269 13.366 1.00 0.00 H new ATOM 996 N PRO A 69 103.689 -6.529 14.810 1.00 0.00 N ATOM 997 CA PRO A 69 103.524 -7.990 15.029 1.00 0.00 C ATOM 998 C PRO A 69 103.215 -8.753 13.742 1.00 0.00 C ATOM 999 O PRO A 69 102.371 -8.344 12.938 1.00 0.00 O ATOM 1000 CB PRO A 69 102.348 -8.065 16.004 1.00 0.00 C ATOM 1001 CG PRO A 69 101.541 -6.825 15.781 1.00 0.00 C ATOM 1002 CD PRO A 69 102.372 -5.871 14.916 1.00 0.00 C ATOM 0 HA PRO A 69 104.438 -8.451 15.403 1.00 0.00 H new ATOM 0 HB2 PRO A 69 101.749 -8.957 15.823 1.00 0.00 H new ATOM 0 HB3 PRO A 69 102.699 -8.121 17.034 1.00 0.00 H new ATOM 0 HG2 PRO A 69 100.600 -7.066 15.287 1.00 0.00 H new ATOM 0 HG3 PRO A 69 101.290 -6.357 16.733 1.00 0.00 H new ATOM 0 HD2 PRO A 69 101.919 -5.727 13.935 1.00 0.00 H new ATOM 0 HD3 PRO A 69 102.455 -4.887 15.377 1.00 0.00 H new ATOM 1010 N ALA A 70 104.009 -9.796 13.511 1.00 0.00 N ATOM 1011 CA ALA A 70 103.770 -10.749 12.435 1.00 0.00 C ATOM 1012 C ALA A 70 102.710 -11.774 12.831 1.00 0.00 C ATOM 1013 O ALA A 70 102.736 -12.294 13.950 1.00 0.00 O ATOM 1014 CB ALA A 70 105.070 -11.480 12.098 1.00 0.00 C ATOM 0 H ALA A 70 104.838 -10.003 14.068 1.00 0.00 H new ATOM 0 HA ALA A 70 103.413 -10.196 11.567 1.00 0.00 H new ATOM 0 HB1 ALA A 70 104.889 -12.192 11.293 1.00 0.00 H new ATOM 0 HB2 ALA A 70 105.822 -10.757 11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 70 105.427 -12.012 12.980 1.00 0.00 H new ATOM 1020 N TYR A 71 101.825 -12.089 11.890 1.00 0.00 N ATOM 1021 CA TYR A 71 100.840 -13.151 12.072 1.00 0.00 C ATOM 1022 C TYR A 71 101.322 -14.411 11.359 1.00 0.00 C ATOM 1023 O TYR A 71 101.890 -14.319 10.267 1.00 0.00 O ATOM 1024 CB TYR A 71 99.487 -12.719 11.503 1.00 0.00 C ATOM 1025 CG TYR A 71 98.384 -13.721 11.754 1.00 0.00 C ATOM 1026 CD1 TYR A 71 97.682 -13.703 12.963 1.00 0.00 C ATOM 1027 CD2 TYR A 71 98.066 -14.669 10.773 1.00 0.00 C ATOM 1028 CE1 TYR A 71 96.661 -14.631 13.196 1.00 0.00 C ATOM 1029 CE2 TYR A 71 97.044 -15.599 11.004 1.00 0.00 C ATOM 1030 CZ TYR A 71 96.342 -15.580 12.216 1.00 0.00 C ATOM 1031 OH TYR A 71 95.334 -16.496 12.443 1.00 0.00 O ATOM 0 H TYR A 71 101.770 -11.620 10.986 1.00 0.00 H new ATOM 0 HA TYR A 71 100.723 -13.354 13.136 1.00 0.00 H new ATOM 0 HB2 TYR A 71 99.205 -11.762 11.942 1.00 0.00 H new ATOM 0 HB3 TYR A 71 99.586 -12.560 10.429 1.00 0.00 H new ATOM 0 HD1 TYR A 71 97.928 -12.971 13.718 1.00 0.00 H new ATOM 0 HD2 TYR A 71 98.608 -14.683 9.839 1.00 0.00 H new ATOM 0 HE1 TYR A 71 96.119 -14.616 14.130 1.00 0.00 H new ATOM 0 HE2 TYR A 71 96.798 -16.330 10.248 1.00 0.00 H new ATOM 0 HH TYR A 71 95.241 -17.081 11.662 1.00 0.00 H new ATOM 1041 N ARG A 72 100.939 -15.569 11.895 1.00 0.00 N ATOM 1042 CA ARG A 72 101.621 -16.829 11.602 1.00 0.00 C ATOM 1043 C ARG A 72 100.936 -17.603 10.479 1.00 0.00 C ATOM 1044 O ARG A 72 99.712 -17.728 10.436 1.00 0.00 O ATOM 1045 CB ARG A 72 101.664 -17.689 12.869 1.00 0.00 C ATOM 1046 CG ARG A 72 102.491 -18.959 12.639 1.00 0.00 C ATOM 1047 CD ARG A 72 103.983 -18.621 12.639 1.00 0.00 C ATOM 1048 NE ARG A 72 104.773 -19.825 12.362 1.00 0.00 N ATOM 1049 CZ ARG A 72 106.114 -19.837 12.325 1.00 0.00 C ATOM 1050 NH1 ARG A 72 106.829 -18.759 12.533 1.00 0.00 N ATOM 1051 NH2 ARG A 72 106.726 -20.963 12.072 1.00 0.00 N ATOM 0 H ARG A 72 100.154 -15.661 12.539 1.00 0.00 H new ATOM 0 HA ARG A 72 102.632 -16.593 11.270 1.00 0.00 H new ATOM 0 HB2 ARG A 72 102.093 -17.114 13.689 1.00 0.00 H new ATOM 0 HB3 ARG A 72 100.650 -17.959 13.165 1.00 0.00 H new ATOM 0 HG2 ARG A 72 102.275 -19.689 13.419 1.00 0.00 H new ATOM 0 HG3 ARG A 72 102.214 -19.416 11.689 1.00 0.00 H new ATOM 0 HD2 ARG A 72 104.191 -17.859 11.888 1.00 0.00 H new ATOM 0 HD3 ARG A 72 104.269 -18.203 13.604 1.00 0.00 H new ATOM 0 HE ARG A 72 104.277 -20.699 12.188 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.367 -17.871 12.731 1.00 0.00 H new ATOM 0 HH12 ARG A 72 107.847 -18.807 12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 72 106.185 -21.812 11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 72 107.745 -20.993 12.039 1.00 0.00 H new ATOM 1065 N ILE A 73 101.764 -18.117 9.573 1.00 0.00 N ATOM 1066 CA ILE A 73 101.290 -18.717 8.329 1.00 0.00 C ATOM 1067 C ILE A 73 100.645 -20.085 8.533 1.00 0.00 C ATOM 1068 O ILE A 73 101.156 -20.939 9.258 1.00 0.00 O ATOM 1069 CB ILE A 73 102.457 -18.860 7.342 1.00 0.00 C ATOM 1070 CG1 ILE A 73 103.593 -19.692 7.954 1.00 0.00 C ATOM 1071 CG2 ILE A 73 102.982 -17.469 6.995 1.00 0.00 C ATOM 1072 CD1 ILE A 73 104.667 -19.956 6.897 1.00 0.00 C ATOM 0 H ILE A 73 102.778 -18.129 9.680 1.00 0.00 H new ATOM 0 HA ILE A 73 100.525 -18.049 7.933 1.00 0.00 H new ATOM 0 HB ILE A 73 102.101 -19.369 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.027 -19.164 8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 73 103.202 -20.636 8.332 1.00 0.00 H new ATOM 0 HG21 ILE A 73 103.812 -17.558 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 73 102.184 -16.882 6.540 1.00 0.00 H new ATOM 0 HG23 ILE A 73 103.325 -16.973 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 73 105.471 -20.547 7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.229 -20.503 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 73 105.067 -19.007 6.540 1.00 0.00 H new ATOM 1084 N ASN A 74 99.466 -20.245 7.945 1.00 0.00 N ATOM 1085 CA ASN A 74 98.881 -21.569 7.778 1.00 0.00 C ATOM 1086 C ASN A 74 99.489 -22.240 6.545 1.00 0.00 C ATOM 1087 O ASN A 74 99.848 -23.417 6.580 1.00 0.00 O ATOM 1088 CB ASN A 74 97.364 -21.459 7.612 1.00 0.00 C ATOM 1089 CG ASN A 74 96.747 -20.822 8.851 1.00 0.00 C ATOM 1090 OD1 ASN A 74 95.939 -19.900 8.740 1.00 0.00 O ATOM 1091 ND2 ASN A 74 97.081 -21.262 10.034 1.00 0.00 N ATOM 0 H ASN A 74 98.900 -19.480 7.578 1.00 0.00 H new ATOM 0 HA ASN A 74 99.094 -22.169 8.663 1.00 0.00 H new ATOM 0 HB2 ASN A 74 97.129 -20.862 6.731 1.00 0.00 H new ATOM 0 HB3 ASN A 74 96.935 -22.448 7.450 1.00 0.00 H new ATOM 0 HD21 ASN A 74 96.672 -20.842 10.869 1.00 0.00 H new ATOM 0 HD22 ASN A 74 97.751 -22.026 10.124 1.00 0.00 H new ATOM 1098 N ASP A 75 99.610 -21.467 5.464 1.00 0.00 N ATOM 1099 CA ASP A 75 100.224 -21.947 4.229 1.00 0.00 C ATOM 1100 C ASP A 75 100.551 -20.767 3.313 1.00 0.00 C ATOM 1101 O ASP A 75 99.759 -20.411 2.440 1.00 0.00 O ATOM 1102 CB ASP A 75 99.274 -22.907 3.503 1.00 0.00 C ATOM 1103 CG ASP A 75 99.416 -24.331 4.039 1.00 0.00 C ATOM 1104 OD1 ASP A 75 100.491 -24.674 4.501 1.00 0.00 O ATOM 1105 OD2 ASP A 75 98.438 -25.059 3.980 1.00 0.00 O ATOM 0 H ASP A 75 99.288 -20.500 5.421 1.00 0.00 H new ATOM 0 HA ASP A 75 101.144 -22.475 4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 75 98.245 -22.569 3.628 1.00 0.00 H new ATOM 0 HB3 ASP A 75 99.486 -22.895 2.434 1.00 0.00 H new ATOM 1110 N TRP A 76 101.719 -20.158 3.517 1.00 0.00 N ATOM 1111 CA TRP A 76 102.136 -19.002 2.717 1.00 0.00 C ATOM 1112 C TRP A 76 101.059 -17.911 2.757 1.00 0.00 C ATOM 1113 O TRP A 76 100.654 -17.362 1.732 1.00 0.00 O ATOM 1114 CB TRP A 76 102.413 -19.421 1.267 1.00 0.00 C ATOM 1115 CG TRP A 76 103.260 -20.650 1.134 1.00 0.00 C ATOM 1116 CD1 TRP A 76 103.126 -21.577 0.156 1.00 0.00 C ATOM 1117 CD2 TRP A 76 104.355 -21.108 1.985 1.00 0.00 C ATOM 1118 NE1 TRP A 76 104.068 -22.569 0.351 1.00 0.00 N ATOM 1119 CE2 TRP A 76 104.847 -22.329 1.462 1.00 0.00 C ATOM 1120 CE3 TRP A 76 104.961 -20.592 3.144 1.00 0.00 C ATOM 1121 CZ2 TRP A 76 105.904 -23.011 2.070 1.00 0.00 C ATOM 1122 CZ3 TRP A 76 106.022 -21.275 3.757 1.00 0.00 C ATOM 1123 CH2 TRP A 76 106.494 -22.480 3.223 1.00 0.00 C ATOM 0 H TRP A 76 102.393 -20.444 4.227 1.00 0.00 H new ATOM 0 HA TRP A 76 103.056 -18.602 3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 76 101.462 -19.592 0.762 1.00 0.00 H new ATOM 0 HB3 TRP A 76 102.905 -18.597 0.750 1.00 0.00 H new ATOM 0 HD1 TRP A 76 102.402 -21.546 -0.645 1.00 0.00 H new ATOM 0 HE1 TRP A 76 104.174 -23.382 -0.255 1.00 0.00 H new ATOM 0 HE3 TRP A 76 104.607 -19.663 3.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 106.263 -23.941 1.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 106.478 -20.868 4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 76 107.312 -22.999 3.700 1.00 0.00 H new ATOM 1134 N ALA A 77 100.615 -17.612 3.971 1.00 0.00 N ATOM 1135 CA ALA A 77 99.496 -16.697 4.201 1.00 0.00 C ATOM 1136 C ALA A 77 99.888 -15.513 5.086 1.00 0.00 C ATOM 1137 O ALA A 77 99.019 -14.903 5.709 1.00 0.00 O ATOM 1138 CB ALA A 77 98.339 -17.455 4.854 1.00 0.00 C ATOM 0 H ALA A 77 101.018 -17.995 4.826 1.00 0.00 H new ATOM 0 HA ALA A 77 99.194 -16.301 3.231 1.00 0.00 H new ATOM 0 HB1 ALA A 77 97.507 -16.772 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 77 98.017 -18.263 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 77 98.668 -17.871 5.806 1.00 0.00 H new ATOM 1144 N SER A 78 101.175 -15.171 5.154 1.00 0.00 N ATOM 1145 CA SER A 78 101.665 -14.371 6.269 1.00 0.00 C ATOM 1146 C SER A 78 101.108 -12.962 6.202 1.00 0.00 C ATOM 1147 O SER A 78 100.893 -12.421 5.119 1.00 0.00 O ATOM 1148 CB SER A 78 103.196 -14.313 6.236 1.00 0.00 C ATOM 1149 OG SER A 78 103.686 -14.182 7.563 1.00 0.00 O ATOM 0 H SER A 78 101.881 -15.430 4.465 1.00 0.00 H new ATOM 0 HA SER A 78 101.335 -14.838 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 78 103.596 -15.216 5.775 1.00 0.00 H new ATOM 0 HB3 SER A 78 103.527 -13.471 5.628 1.00 0.00 H new ATOM 0 HG SER A 78 104.088 -13.295 7.677 1.00 0.00 H new ATOM 1155 N ILE A 79 100.845 -12.384 7.369 1.00 0.00 N ATOM 1156 CA ILE A 79 100.328 -11.019 7.423 1.00 0.00 C ATOM 1157 C ILE A 79 101.142 -10.210 8.419 1.00 0.00 C ATOM 1158 O ILE A 79 101.310 -10.616 9.563 1.00 0.00 O ATOM 1159 CB ILE A 79 98.853 -11.030 7.845 1.00 0.00 C ATOM 1160 CG1 ILE A 79 98.044 -11.901 6.879 1.00 0.00 C ATOM 1161 CG2 ILE A 79 98.292 -9.604 7.815 1.00 0.00 C ATOM 1162 CD1 ILE A 79 96.613 -12.054 7.403 1.00 0.00 C ATOM 0 H ILE A 79 100.978 -12.829 8.277 1.00 0.00 H new ATOM 0 HA ILE A 79 100.407 -10.566 6.435 1.00 0.00 H new ATOM 0 HB ILE A 79 98.780 -11.433 8.855 1.00 0.00 H new ATOM 0 HG12 ILE A 79 98.033 -11.449 5.887 1.00 0.00 H new ATOM 0 HG13 ILE A 79 98.512 -12.880 6.777 1.00 0.00 H new ATOM 0 HG21 ILE A 79 97.244 -9.619 8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 79 98.858 -8.976 8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 79 98.374 -9.202 6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 79 96.038 -12.674 6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 79 96.634 -12.526 8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 79 96.147 -11.072 7.482 1.00 0.00 H new ATOM 1174 N TYR A 80 101.608 -9.042 7.992 1.00 0.00 N ATOM 1175 CA TYR A 80 102.344 -8.150 8.878 1.00 0.00 C ATOM 1176 C TYR A 80 101.647 -6.799 8.936 1.00 0.00 C ATOM 1177 O TYR A 80 101.244 -6.274 7.900 1.00 0.00 O ATOM 1178 CB TYR A 80 103.771 -7.920 8.356 1.00 0.00 C ATOM 1179 CG TYR A 80 104.675 -9.137 8.276 1.00 0.00 C ATOM 1180 CD1 TYR A 80 104.354 -10.346 8.913 1.00 0.00 C ATOM 1181 CD2 TYR A 80 105.865 -9.038 7.545 1.00 0.00 C ATOM 1182 CE1 TYR A 80 105.217 -11.445 8.816 1.00 0.00 C ATOM 1183 CE2 TYR A 80 106.729 -10.135 7.450 1.00 0.00 C ATOM 1184 CZ TYR A 80 106.406 -11.338 8.084 1.00 0.00 C ATOM 1185 OH TYR A 80 107.257 -12.420 7.988 1.00 0.00 O ATOM 0 H TYR A 80 101.490 -8.692 7.041 1.00 0.00 H new ATOM 0 HA TYR A 80 102.382 -8.611 9.865 1.00 0.00 H new ATOM 0 HB2 TYR A 80 103.702 -7.482 7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 80 104.252 -7.181 8.997 1.00 0.00 H new ATOM 0 HD1 TYR A 80 103.438 -10.429 9.480 1.00 0.00 H new ATOM 0 HD2 TYR A 80 106.117 -8.111 7.052 1.00 0.00 H new ATOM 0 HE1 TYR A 80 104.966 -12.374 9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 80 107.646 -10.052 6.886 1.00 0.00 H new ATOM 0 HH TYR A 80 106.957 -13.009 7.264 1.00 0.00 H new ATOM 1195 N GLY A 81 101.505 -6.248 10.138 1.00 0.00 N ATOM 1196 CA GLY A 81 101.072 -4.856 10.280 1.00 0.00 C ATOM 1197 C GLY A 81 102.121 -4.098 11.079 1.00 0.00 C ATOM 1198 O GLY A 81 102.623 -4.624 12.069 1.00 0.00 O ATOM 0 H GLY A 81 101.680 -6.733 11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 81 100.941 -4.399 9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 81 100.107 -4.810 10.784 1.00 0.00 H new ATOM 1202 N VAL A 82 102.453 -2.873 10.666 1.00 0.00 N ATOM 1203 CA VAL A 82 103.547 -2.148 11.307 1.00 0.00 C ATOM 1204 C VAL A 82 103.250 -0.658 11.431 1.00 0.00 C ATOM 1205 O VAL A 82 102.505 -0.095 10.630 1.00 0.00 O ATOM 1206 CB VAL A 82 104.835 -2.359 10.506 1.00 0.00 C ATOM 1207 CG1 VAL A 82 105.163 -3.852 10.435 1.00 0.00 C ATOM 1208 CG2 VAL A 82 104.656 -1.819 9.083 1.00 0.00 C ATOM 0 H VAL A 82 101.990 -2.373 9.907 1.00 0.00 H new ATOM 0 HA VAL A 82 103.665 -2.542 12.317 1.00 0.00 H new ATOM 0 HB VAL A 82 105.648 -1.828 11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 82 106.080 -3.996 9.864 1.00 0.00 H new ATOM 0 HG12 VAL A 82 105.298 -4.243 11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 82 104.345 -4.381 9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 82 105.575 -1.972 8.518 1.00 0.00 H new ATOM 0 HG22 VAL A 82 103.837 -2.347 8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 82 104.428 -0.754 9.124 1.00 0.00 H new ATOM 1218 N VAL A 83 103.864 -0.028 12.430 1.00 0.00 N ATOM 1219 CA VAL A 83 103.771 1.417 12.604 1.00 0.00 C ATOM 1220 C VAL A 83 105.164 1.964 12.879 1.00 0.00 C ATOM 1221 O VAL A 83 105.942 1.322 13.583 1.00 0.00 O ATOM 1222 CB VAL A 83 102.842 1.758 13.776 1.00 0.00 C ATOM 1223 CG1 VAL A 83 101.422 1.291 13.456 1.00 0.00 C ATOM 1224 CG2 VAL A 83 103.334 1.062 15.049 1.00 0.00 C ATOM 0 H VAL A 83 104.433 -0.499 13.133 1.00 0.00 H new ATOM 0 HA VAL A 83 103.361 1.865 11.699 1.00 0.00 H new ATOM 0 HB VAL A 83 102.844 2.837 13.932 1.00 0.00 H new ATOM 0 HG11 VAL A 83 100.763 1.534 14.289 1.00 0.00 H new ATOM 0 HG12 VAL A 83 101.068 1.793 12.555 1.00 0.00 H new ATOM 0 HG13 VAL A 83 101.421 0.213 13.295 1.00 0.00 H new ATOM 0 HG21 VAL A 83 102.670 1.308 15.878 1.00 0.00 H new ATOM 0 HG22 VAL A 83 103.338 -0.017 14.895 1.00 0.00 H new ATOM 0 HG23 VAL A 83 104.344 1.399 15.281 1.00 0.00 H new ATOM 1234 N GLY A 84 105.489 3.128 12.320 1.00 0.00 N ATOM 1235 CA GLY A 84 106.831 3.676 12.488 1.00 0.00 C ATOM 1236 C GLY A 84 106.812 5.194 12.528 1.00 0.00 C ATOM 1237 O GLY A 84 105.793 5.824 12.245 1.00 0.00 O ATOM 0 H GLY A 84 104.857 3.699 11.759 1.00 0.00 H new ATOM 0 HA2 GLY A 84 107.269 3.292 13.409 1.00 0.00 H new ATOM 0 HA3 GLY A 84 107.467 3.341 11.669 1.00 0.00 H new ATOM 1241 N VAL A 85 107.960 5.776 12.845 1.00 0.00 N ATOM 1242 CA VAL A 85 108.100 7.227 12.857 1.00 0.00 C ATOM 1243 C VAL A 85 109.156 7.615 11.833 1.00 0.00 C ATOM 1244 O VAL A 85 110.264 7.080 11.857 1.00 0.00 O ATOM 1245 CB VAL A 85 108.519 7.712 14.248 1.00 0.00 C ATOM 1246 CG1 VAL A 85 108.585 9.242 14.263 1.00 0.00 C ATOM 1247 CG2 VAL A 85 107.497 7.244 15.287 1.00 0.00 C ATOM 0 H VAL A 85 108.807 5.267 13.097 1.00 0.00 H new ATOM 0 HA VAL A 85 107.145 7.691 12.609 1.00 0.00 H new ATOM 0 HB VAL A 85 109.500 7.301 14.488 1.00 0.00 H new ATOM 0 HG11 VAL A 85 108.883 9.584 15.254 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.314 9.582 13.527 1.00 0.00 H new ATOM 0 HG13 VAL A 85 107.605 9.651 14.018 1.00 0.00 H new ATOM 0 HG21 VAL A 85 107.798 7.591 16.275 1.00 0.00 H new ATOM 0 HG22 VAL A 85 106.516 7.652 15.042 1.00 0.00 H new ATOM 0 HG23 VAL A 85 107.448 6.155 15.284 1.00 0.00 H new ATOM 1257 N GLY A 86 108.799 8.508 10.917 1.00 0.00 N ATOM 1258 CA GLY A 86 109.742 8.948 9.890 1.00 0.00 C ATOM 1259 C GLY A 86 109.888 10.464 9.902 1.00 0.00 C ATOM 1260 O GLY A 86 108.933 11.176 10.201 1.00 0.00 O ATOM 0 H GLY A 86 107.876 8.938 10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.713 8.483 10.059 1.00 0.00 H new ATOM 0 HA3 GLY A 86 109.398 8.619 8.909 1.00 0.00 H new ATOM 1264 N TYR A 87 111.085 10.954 9.591 1.00 0.00 N ATOM 1265 CA TYR A 87 111.312 12.395 9.531 1.00 0.00 C ATOM 1266 C TYR A 87 112.191 12.757 8.339 1.00 0.00 C ATOM 1267 O TYR A 87 112.968 11.932 7.856 1.00 0.00 O ATOM 1268 CB TYR A 87 111.952 12.882 10.836 1.00 0.00 C ATOM 1269 CG TYR A 87 113.378 12.428 11.043 1.00 0.00 C ATOM 1270 CD1 TYR A 87 114.439 13.210 10.572 1.00 0.00 C ATOM 1271 CD2 TYR A 87 113.639 11.226 11.714 1.00 0.00 C ATOM 1272 CE1 TYR A 87 115.759 12.791 10.769 1.00 0.00 C ATOM 1273 CE2 TYR A 87 114.960 10.807 11.911 1.00 0.00 C ATOM 1274 CZ TYR A 87 116.020 11.590 11.440 1.00 0.00 C ATOM 1275 OH TYR A 87 117.322 11.177 11.635 1.00 0.00 O ATOM 0 H TYR A 87 111.903 10.383 9.379 1.00 0.00 H new ATOM 0 HA TYR A 87 110.350 12.891 9.404 1.00 0.00 H new ATOM 0 HB2 TYR A 87 111.925 13.972 10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 87 111.348 12.534 11.674 1.00 0.00 H new ATOM 0 HD1 TYR A 87 114.238 14.137 10.056 1.00 0.00 H new ATOM 0 HD2 TYR A 87 112.821 10.623 12.079 1.00 0.00 H new ATOM 0 HE1 TYR A 87 116.577 13.394 10.403 1.00 0.00 H new ATOM 0 HE2 TYR A 87 115.161 9.880 12.426 1.00 0.00 H new ATOM 0 HH TYR A 87 117.326 10.324 12.118 1.00 0.00 H new ATOM 1285 N GLY A 88 112.055 13.996 7.877 1.00 0.00 N ATOM 1286 CA GLY A 88 112.824 14.475 6.726 1.00 0.00 C ATOM 1287 C GLY A 88 113.577 15.757 7.063 1.00 0.00 C ATOM 1288 O GLY A 88 113.087 16.588 7.824 1.00 0.00 O ATOM 0 H GLY A 88 111.422 14.688 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 88 113.530 13.707 6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 88 112.153 14.654 5.886 1.00 0.00 H new ATOM 1292 N LYS A 89 114.772 15.913 6.495 1.00 0.00 N ATOM 1293 CA LYS A 89 115.571 17.109 6.747 1.00 0.00 C ATOM 1294 C LYS A 89 116.295 17.552 5.479 1.00 0.00 C ATOM 1295 O LYS A 89 116.737 16.713 4.694 1.00 0.00 O ATOM 1296 CB LYS A 89 116.595 16.826 7.848 1.00 0.00 C ATOM 1297 CG LYS A 89 117.326 18.118 8.218 1.00 0.00 C ATOM 1298 CD LYS A 89 118.406 17.814 9.258 1.00 0.00 C ATOM 1299 CE LYS A 89 119.033 19.126 9.741 1.00 0.00 C ATOM 1300 NZ LYS A 89 118.021 19.905 10.510 1.00 0.00 N ATOM 0 H LYS A 89 115.203 15.236 5.866 1.00 0.00 H new ATOM 0 HA LYS A 89 114.902 17.909 7.065 1.00 0.00 H new ATOM 0 HB2 LYS A 89 116.095 16.416 8.726 1.00 0.00 H new ATOM 0 HB3 LYS A 89 117.310 16.077 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 89 117.776 18.561 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 89 116.620 18.847 8.614 1.00 0.00 H new ATOM 0 HD2 LYS A 89 117.973 17.274 10.100 1.00 0.00 H new ATOM 0 HD3 LYS A 89 119.172 17.170 8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 89 119.901 18.918 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 89 119.386 19.708 8.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 118.472 20.332 11.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 117.629 20.655 9.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 117.255 19.272 10.817 1.00 0.00 H new ATOM 1314 N PHE A 90 116.402 18.863 5.272 1.00 0.00 N ATOM 1315 CA PHE A 90 117.160 19.378 4.136 1.00 0.00 C ATOM 1316 C PHE A 90 118.577 19.739 4.569 1.00 0.00 C ATOM 1317 O PHE A 90 118.774 20.460 5.547 1.00 0.00 O ATOM 1318 CB PHE A 90 116.469 20.611 3.552 1.00 0.00 C ATOM 1319 CG PHE A 90 115.143 20.300 2.898 1.00 0.00 C ATOM 1320 CD1 PHE A 90 115.105 19.879 1.563 1.00 0.00 C ATOM 1321 CD2 PHE A 90 113.954 20.434 3.623 1.00 0.00 C ATOM 1322 CE1 PHE A 90 113.877 19.590 0.955 1.00 0.00 C ATOM 1323 CE2 PHE A 90 112.726 20.144 3.016 1.00 0.00 C ATOM 1324 CZ PHE A 90 112.689 19.723 1.681 1.00 0.00 C ATOM 0 H PHE A 90 115.981 19.577 5.866 1.00 0.00 H new ATOM 0 HA PHE A 90 117.207 18.603 3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 90 116.312 21.341 4.346 1.00 0.00 H new ATOM 0 HB3 PHE A 90 117.128 21.075 2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 90 116.022 19.777 1.002 1.00 0.00 H new ATOM 0 HD2 PHE A 90 113.983 20.761 4.652 1.00 0.00 H new ATOM 0 HE1 PHE A 90 113.847 19.264 -0.074 1.00 0.00 H new ATOM 0 HE2 PHE A 90 111.809 20.245 3.577 1.00 0.00 H new ATOM 0 HZ PHE A 90 111.742 19.501 1.211 1.00 0.00 H new ATOM 1334 N GLN A 91 119.566 19.230 3.835 1.00 0.00 N ATOM 1335 CA GLN A 91 120.968 19.456 4.176 1.00 0.00 C ATOM 1336 C GLN A 91 121.673 20.258 3.089 1.00 0.00 C ATOM 1337 O GLN A 91 121.343 20.153 1.908 1.00 0.00 O ATOM 1338 CB GLN A 91 121.680 18.114 4.356 1.00 0.00 C ATOM 1339 CG GLN A 91 121.077 17.368 5.551 1.00 0.00 C ATOM 1340 CD GLN A 91 121.718 15.991 5.701 1.00 0.00 C ATOM 1341 OE1 GLN A 91 122.324 15.471 4.762 1.00 0.00 O ATOM 1342 NE2 GLN A 91 121.621 15.361 6.841 1.00 0.00 N ATOM 0 H GLN A 91 119.422 18.659 3.002 1.00 0.00 H new ATOM 0 HA GLN A 91 121.004 20.023 5.106 1.00 0.00 H new ATOM 0 HB2 GLN A 91 121.580 17.514 3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 91 122.746 18.275 4.515 1.00 0.00 H new ATOM 0 HG2 GLN A 91 121.228 17.947 6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 91 120.001 17.262 5.415 1.00 0.00 H new ATOM 0 HE21 GLN A 91 121.120 15.789 7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 91 122.046 14.441 6.953 1.00 0.00 H new ATOM 1351 N THR A 92 122.646 21.065 3.502 1.00 0.00 N ATOM 1352 CA THR A 92 123.409 21.880 2.564 1.00 0.00 C ATOM 1353 C THR A 92 124.570 21.077 1.983 1.00 0.00 C ATOM 1354 O THR A 92 124.998 20.083 2.567 1.00 0.00 O ATOM 1355 CB THR A 92 123.953 23.126 3.269 1.00 0.00 C ATOM 1356 OG1 THR A 92 124.865 22.732 4.284 1.00 0.00 O ATOM 1357 CG2 THR A 92 122.803 23.923 3.892 1.00 0.00 C ATOM 0 H THR A 92 122.924 21.172 4.478 1.00 0.00 H new ATOM 0 HA THR A 92 122.746 22.184 1.754 1.00 0.00 H new ATOM 0 HB THR A 92 124.464 23.755 2.540 1.00 0.00 H new ATOM 0 HG1 THR A 92 124.970 23.461 4.930 1.00 0.00 H new ATOM 0 HG21 THR A 92 123.201 24.807 4.391 1.00 0.00 H new ATOM 0 HG22 THR A 92 122.108 24.230 3.111 1.00 0.00 H new ATOM 0 HG23 THR A 92 122.281 23.301 4.619 1.00 0.00 H new ATOM 1365 N THR A 93 125.077 21.517 0.834 1.00 0.00 N ATOM 1366 CA THR A 93 126.188 20.827 0.170 1.00 0.00 C ATOM 1367 C THR A 93 127.396 21.747 -0.041 1.00 0.00 C ATOM 1368 O THR A 93 128.529 21.272 -0.122 1.00 0.00 O ATOM 1369 CB THR A 93 125.733 20.263 -1.181 1.00 0.00 C ATOM 1370 OG1 THR A 93 126.854 19.711 -1.857 1.00 0.00 O ATOM 1371 CG2 THR A 93 125.112 21.363 -2.047 1.00 0.00 C ATOM 0 H THR A 93 124.740 22.345 0.342 1.00 0.00 H new ATOM 0 HA THR A 93 126.496 20.013 0.826 1.00 0.00 H new ATOM 0 HB THR A 93 124.982 19.493 -1.004 1.00 0.00 H new ATOM 0 HG1 THR A 93 126.568 19.347 -2.721 1.00 0.00 H new ATOM 0 HG21 THR A 93 124.796 20.940 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 93 124.248 21.786 -1.534 1.00 0.00 H new ATOM 0 HG23 THR A 93 125.849 22.147 -2.223 1.00 0.00 H new ATOM 1379 N GLU A 94 127.165 23.057 -0.127 1.00 0.00 N ATOM 1380 CA GLU A 94 128.252 24.013 -0.335 1.00 0.00 C ATOM 1381 C GLU A 94 128.268 25.055 0.779 1.00 0.00 C ATOM 1382 O GLU A 94 127.253 25.297 1.430 1.00 0.00 O ATOM 1383 CB GLU A 94 128.079 24.711 -1.685 1.00 0.00 C ATOM 1384 CG GLU A 94 128.157 23.675 -2.812 1.00 0.00 C ATOM 1385 CD GLU A 94 128.076 24.330 -4.196 1.00 0.00 C ATOM 1386 OE1 GLU A 94 127.772 25.511 -4.281 1.00 0.00 O ATOM 1387 OE2 GLU A 94 128.324 23.630 -5.163 1.00 0.00 O ATOM 0 H GLU A 94 126.239 23.479 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 94 129.197 23.470 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 94 127.120 25.228 -1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 94 128.853 25.466 -1.817 1.00 0.00 H new ATOM 0 HG2 GLU A 94 129.089 23.117 -2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 94 127.345 22.957 -2.702 1.00 0.00 H new ATOM 1394 N TYR A 95 129.429 25.672 0.994 1.00 0.00 N ATOM 1395 CA TYR A 95 129.566 26.687 2.034 1.00 0.00 C ATOM 1396 C TYR A 95 128.462 27.755 1.979 1.00 0.00 C ATOM 1397 O TYR A 95 127.921 28.090 3.036 1.00 0.00 O ATOM 1398 CB TYR A 95 130.949 27.344 1.983 1.00 0.00 C ATOM 1399 CG TYR A 95 131.168 28.356 3.084 1.00 0.00 C ATOM 1400 CD1 TYR A 95 130.824 29.697 2.880 1.00 0.00 C ATOM 1401 CD2 TYR A 95 131.715 27.950 4.308 1.00 0.00 C ATOM 1402 CE1 TYR A 95 131.026 30.635 3.900 1.00 0.00 C ATOM 1403 CE2 TYR A 95 131.917 28.888 5.326 1.00 0.00 C ATOM 1404 CZ TYR A 95 131.573 30.230 5.124 1.00 0.00 C ATOM 1405 OH TYR A 95 131.772 31.154 6.130 1.00 0.00 O ATOM 0 H TYR A 95 130.282 25.488 0.466 1.00 0.00 H new ATOM 0 HA TYR A 95 129.456 26.166 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 95 131.714 26.571 2.051 1.00 0.00 H new ATOM 0 HB3 TYR A 95 131.076 27.834 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 95 130.403 30.009 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 95 131.980 26.915 4.465 1.00 0.00 H new ATOM 0 HE1 TYR A 95 130.760 31.670 3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 95 132.339 28.576 6.270 1.00 0.00 H new ATOM 0 HH TYR A 95 132.158 30.708 6.913 1.00 0.00 H new ATOM 1415 N PRO A 96 128.102 28.301 0.830 1.00 0.00 N ATOM 1416 CA PRO A 96 127.009 29.321 0.765 1.00 0.00 C ATOM 1417 C PRO A 96 125.645 28.675 0.994 1.00 0.00 C ATOM 1418 O PRO A 96 125.066 28.087 0.080 1.00 0.00 O ATOM 1419 CB PRO A 96 127.116 29.933 -0.643 1.00 0.00 C ATOM 1420 CG PRO A 96 128.352 29.362 -1.254 1.00 0.00 C ATOM 1421 CD PRO A 96 128.622 28.050 -0.526 1.00 0.00 C ATOM 0 HA PRO A 96 127.110 30.081 1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 96 126.238 29.689 -1.241 1.00 0.00 H new ATOM 0 HB3 PRO A 96 127.174 31.020 -0.591 1.00 0.00 H new ATOM 0 HG2 PRO A 96 128.215 29.193 -2.322 1.00 0.00 H new ATOM 0 HG3 PRO A 96 129.192 30.048 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO A 96 128.113 27.213 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO A 96 129.685 27.810 -0.511 1.00 0.00 H new ATOM 1429 N THR A 97 125.138 28.790 2.218 1.00 0.00 N ATOM 1430 CA THR A 97 123.879 28.146 2.586 1.00 0.00 C ATOM 1431 C THR A 97 122.836 29.180 2.988 1.00 0.00 C ATOM 1432 O THR A 97 123.161 30.333 3.274 1.00 0.00 O ATOM 1433 CB THR A 97 124.106 27.182 3.752 1.00 0.00 C ATOM 1434 OG1 THR A 97 124.537 27.913 4.891 1.00 0.00 O ATOM 1435 CG2 THR A 97 125.168 26.145 3.375 1.00 0.00 C ATOM 0 H THR A 97 125.577 29.321 2.970 1.00 0.00 H new ATOM 0 HA THR A 97 123.515 27.597 1.718 1.00 0.00 H new ATOM 0 HB THR A 97 123.172 26.667 3.979 1.00 0.00 H new ATOM 0 HG1 THR A 97 124.681 27.297 5.640 1.00 0.00 H new ATOM 0 HG21 THR A 97 125.323 25.463 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 97 124.833 25.581 2.504 1.00 0.00 H new ATOM 0 HG23 THR A 97 126.104 26.652 3.141 1.00 0.00 H new ATOM 1443 N TYR A 98 121.576 28.755 3.007 1.00 0.00 N ATOM 1444 CA TYR A 98 120.472 29.632 3.385 1.00 0.00 C ATOM 1445 C TYR A 98 119.778 29.101 4.636 1.00 0.00 C ATOM 1446 O TYR A 98 119.762 27.897 4.885 1.00 0.00 O ATOM 1447 CB TYR A 98 119.462 29.721 2.241 1.00 0.00 C ATOM 1448 CG TYR A 98 120.054 30.251 0.955 1.00 0.00 C ATOM 1449 CD1 TYR A 98 120.210 31.630 0.775 1.00 0.00 C ATOM 1450 CD2 TYR A 98 120.446 29.363 -0.054 1.00 0.00 C ATOM 1451 CE1 TYR A 98 120.758 32.123 -0.417 1.00 0.00 C ATOM 1452 CE2 TYR A 98 120.994 29.856 -1.244 1.00 0.00 C ATOM 1453 CZ TYR A 98 121.150 31.235 -1.426 1.00 0.00 C ATOM 1454 OH TYR A 98 121.690 31.721 -2.599 1.00 0.00 O ATOM 0 H TYR A 98 121.293 27.805 2.764 1.00 0.00 H new ATOM 0 HA TYR A 98 120.872 30.624 3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.043 28.731 2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 98 118.637 30.365 2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 98 119.908 32.314 1.554 1.00 0.00 H new ATOM 0 HD2 TYR A 98 120.326 28.299 0.086 1.00 0.00 H new ATOM 0 HE1 TYR A 98 120.878 33.187 -0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 98 121.297 29.172 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 98 121.909 30.973 -3.193 1.00 0.00 H new ATOM 1464 N LYS A 99 119.208 30.011 5.418 1.00 0.00 N ATOM 1465 CA LYS A 99 118.510 29.626 6.641 1.00 0.00 C ATOM 1466 C LYS A 99 117.426 28.581 6.365 1.00 0.00 C ATOM 1467 O LYS A 99 117.146 27.735 7.216 1.00 0.00 O ATOM 1468 CB LYS A 99 117.876 30.863 7.284 1.00 0.00 C ATOM 1469 CG LYS A 99 117.283 30.494 8.644 1.00 0.00 C ATOM 1470 CD LYS A 99 116.580 31.712 9.244 1.00 0.00 C ATOM 1471 CE LYS A 99 116.124 31.390 10.669 1.00 0.00 C ATOM 1472 NZ LYS A 99 117.301 31.403 11.583 1.00 0.00 N ATOM 0 H LYS A 99 119.214 31.013 5.230 1.00 0.00 H new ATOM 0 HA LYS A 99 119.240 29.185 7.319 1.00 0.00 H new ATOM 0 HB2 LYS A 99 118.625 31.646 7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 99 117.098 31.263 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 99 116.576 29.672 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 99 118.071 30.149 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 99 117.256 32.567 9.252 1.00 0.00 H new ATOM 0 HD3 LYS A 99 115.723 31.989 8.631 1.00 0.00 H new ATOM 0 HE2 LYS A 99 115.386 32.120 11.000 1.00 0.00 H new ATOM 0 HE3 LYS A 99 115.640 30.413 10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 116.974 31.456 12.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 117.855 30.533 11.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 117.896 32.229 11.371 1.00 0.00 H new ATOM 1486 N HIS A 100 116.816 28.638 5.183 1.00 0.00 N ATOM 1487 CA HIS A 100 115.725 27.731 4.830 1.00 0.00 C ATOM 1488 C HIS A 100 116.081 26.271 5.109 1.00 0.00 C ATOM 1489 O HIS A 100 116.739 25.613 4.303 1.00 0.00 O ATOM 1490 CB HIS A 100 115.376 27.893 3.351 1.00 0.00 C ATOM 1491 CG HIS A 100 114.979 29.295 2.979 1.00 0.00 C ATOM 1492 ND1 HIS A 100 113.785 29.862 3.402 1.00 0.00 N ATOM 1493 CD2 HIS A 100 115.604 30.258 2.225 1.00 0.00 C ATOM 1494 CE1 HIS A 100 113.730 31.109 2.904 1.00 0.00 C ATOM 1495 NE2 HIS A 100 114.814 31.404 2.181 1.00 0.00 N ATOM 0 H HIS A 100 117.060 29.305 4.451 1.00 0.00 H new ATOM 0 HA HIS A 100 114.868 27.992 5.451 1.00 0.00 H new ATOM 0 HB2 HIS A 100 116.234 27.595 2.749 1.00 0.00 H new ATOM 0 HB3 HIS A 100 114.560 27.214 3.102 1.00 0.00 H new ATOM 0 HD2 HIS A 100 116.562 30.144 1.740 1.00 0.00 H new ATOM 0 HE1 HIS A 100 112.908 31.791 3.068 1.00 0.00 H new ATOM 0 HE2 HIS A 100 115.019 32.280 1.700 1.00 0.00 H new ATOM 1503 N ASP A 101 115.638 25.781 6.262 1.00 0.00 N ATOM 1504 CA ASP A 101 115.828 24.382 6.628 1.00 0.00 C ATOM 1505 C ASP A 101 114.542 23.846 7.245 1.00 0.00 C ATOM 1506 O ASP A 101 113.906 24.535 8.043 1.00 0.00 O ATOM 1507 CB ASP A 101 116.976 24.254 7.631 1.00 0.00 C ATOM 1508 CG ASP A 101 117.265 22.783 7.911 1.00 0.00 C ATOM 1509 OD1 ASP A 101 116.666 22.246 8.828 1.00 0.00 O ATOM 1510 OD2 ASP A 101 118.083 22.216 7.206 1.00 0.00 O ATOM 0 H ASP A 101 115.143 26.334 6.961 1.00 0.00 H new ATOM 0 HA ASP A 101 116.074 23.805 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 101 117.869 24.740 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 101 116.718 24.765 8.559 1.00 0.00 H new ATOM 1515 N THR A 102 114.155 22.621 6.888 1.00 0.00 N ATOM 1516 CA THR A 102 112.873 22.079 7.342 1.00 0.00 C ATOM 1517 C THR A 102 113.050 20.713 7.992 1.00 0.00 C ATOM 1518 O THR A 102 113.771 19.858 7.481 1.00 0.00 O ATOM 1519 CB THR A 102 111.914 21.956 6.158 1.00 0.00 C ATOM 1520 OG1 THR A 102 111.840 23.201 5.478 1.00 0.00 O ATOM 1521 CG2 THR A 102 110.523 21.566 6.662 1.00 0.00 C ATOM 0 H THR A 102 114.700 21.994 6.296 1.00 0.00 H new ATOM 0 HA THR A 102 112.462 22.764 8.084 1.00 0.00 H new ATOM 0 HB THR A 102 112.279 21.189 5.475 1.00 0.00 H new ATOM 0 HG1 THR A 102 111.227 23.123 4.718 1.00 0.00 H new ATOM 0 HG21 THR A 102 109.841 21.479 5.816 1.00 0.00 H new ATOM 0 HG22 THR A 102 110.579 20.610 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 102 110.156 22.331 7.347 1.00 0.00 H new ATOM 1529 N SER A 103 112.383 20.523 9.124 1.00 0.00 N ATOM 1530 CA SER A 103 112.383 19.229 9.796 1.00 0.00 C ATOM 1531 C SER A 103 110.991 18.925 10.334 1.00 0.00 C ATOM 1532 O SER A 103 110.318 19.810 10.864 1.00 0.00 O ATOM 1533 CB SER A 103 113.390 19.234 10.948 1.00 0.00 C ATOM 1534 OG SER A 103 112.908 20.076 11.986 1.00 0.00 O ATOM 0 H SER A 103 111.837 21.245 9.594 1.00 0.00 H new ATOM 0 HA SER A 103 112.668 18.460 9.078 1.00 0.00 H new ATOM 0 HB2 SER A 103 113.536 18.221 11.323 1.00 0.00 H new ATOM 0 HB3 SER A 103 114.360 19.587 10.598 1.00 0.00 H new ATOM 0 HG SER A 103 113.549 20.081 12.727 1.00 0.00 H new ATOM 1540 N ASP A 104 110.559 17.675 10.195 1.00 0.00 N ATOM 1541 CA ASP A 104 109.242 17.281 10.681 1.00 0.00 C ATOM 1542 C ASP A 104 109.134 15.765 10.796 1.00 0.00 C ATOM 1543 O ASP A 104 109.800 15.034 10.061 1.00 0.00 O ATOM 1544 CB ASP A 104 108.160 17.805 9.736 1.00 0.00 C ATOM 1545 CG ASP A 104 108.367 17.230 8.338 1.00 0.00 C ATOM 1546 OD1 ASP A 104 107.909 16.125 8.098 1.00 0.00 O ATOM 1547 OD2 ASP A 104 108.979 17.905 7.527 1.00 0.00 O ATOM 0 H ASP A 104 111.094 16.926 9.755 1.00 0.00 H new ATOM 0 HA ASP A 104 109.101 17.713 11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 104 107.174 17.529 10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 104 108.193 18.894 9.699 1.00 0.00 H new ATOM 1552 N TYR A 105 108.288 15.319 11.721 1.00 0.00 N ATOM 1553 CA TYR A 105 108.045 13.897 11.929 1.00 0.00 C ATOM 1554 C TYR A 105 106.642 13.527 11.456 1.00 0.00 C ATOM 1555 O TYR A 105 105.727 14.350 11.511 1.00 0.00 O ATOM 1556 CB TYR A 105 108.179 13.560 13.417 1.00 0.00 C ATOM 1557 CG TYR A 105 109.518 13.933 14.007 1.00 0.00 C ATOM 1558 CD1 TYR A 105 109.742 15.238 14.461 1.00 0.00 C ATOM 1559 CD2 TYR A 105 110.531 12.973 14.108 1.00 0.00 C ATOM 1560 CE1 TYR A 105 110.981 15.583 15.016 1.00 0.00 C ATOM 1561 CE2 TYR A 105 111.770 13.318 14.662 1.00 0.00 C ATOM 1562 CZ TYR A 105 111.995 14.623 15.115 1.00 0.00 C ATOM 1563 OH TYR A 105 113.216 14.963 15.662 1.00 0.00 O ATOM 0 H TYR A 105 107.756 15.929 12.342 1.00 0.00 H new ATOM 0 HA TYR A 105 108.779 13.331 11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 105 107.393 14.075 13.969 1.00 0.00 H new ATOM 0 HB3 TYR A 105 108.017 12.491 13.554 1.00 0.00 H new ATOM 0 HD1 TYR A 105 108.960 15.979 14.383 1.00 0.00 H new ATOM 0 HD2 TYR A 105 110.357 11.966 13.759 1.00 0.00 H new ATOM 0 HE1 TYR A 105 111.154 16.589 15.367 1.00 0.00 H new ATOM 0 HE2 TYR A 105 112.552 12.577 14.740 1.00 0.00 H new ATOM 0 HH TYR A 105 113.806 14.181 15.657 1.00 0.00 H new ATOM 1573 N GLY A 106 106.473 12.291 10.997 1.00 0.00 N ATOM 1574 CA GLY A 106 105.163 11.828 10.556 1.00 0.00 C ATOM 1575 C GLY A 106 104.953 10.374 10.959 1.00 0.00 C ATOM 1576 O GLY A 106 105.915 9.647 11.197 1.00 0.00 O ATOM 0 H GLY A 106 107.218 11.599 10.921 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.383 12.450 10.995 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.080 11.928 9.474 1.00 0.00 H new ATOM 1580 N PHE A 107 103.695 9.952 11.011 1.00 0.00 N ATOM 1581 CA PHE A 107 103.377 8.584 11.400 1.00 0.00 C ATOM 1582 C PHE A 107 103.112 7.738 10.161 1.00 0.00 C ATOM 1583 O PHE A 107 102.254 8.077 9.347 1.00 0.00 O ATOM 1584 CB PHE A 107 102.140 8.588 12.299 1.00 0.00 C ATOM 1585 CG PHE A 107 101.752 7.222 12.815 1.00 0.00 C ATOM 1586 CD1 PHE A 107 102.358 6.708 13.967 1.00 0.00 C ATOM 1587 CD2 PHE A 107 100.777 6.474 12.142 1.00 0.00 C ATOM 1588 CE1 PHE A 107 101.990 5.446 14.447 1.00 0.00 C ATOM 1589 CE2 PHE A 107 100.410 5.212 12.623 1.00 0.00 C ATOM 1590 CZ PHE A 107 101.016 4.698 13.775 1.00 0.00 C ATOM 0 H PHE A 107 102.885 10.532 10.791 1.00 0.00 H new ATOM 0 HA PHE A 107 104.221 8.158 11.943 1.00 0.00 H new ATOM 0 HB2 PHE A 107 102.322 9.248 13.148 1.00 0.00 H new ATOM 0 HB3 PHE A 107 101.301 9.007 11.744 1.00 0.00 H new ATOM 0 HD1 PHE A 107 103.109 7.285 14.485 1.00 0.00 H new ATOM 0 HD2 PHE A 107 100.309 6.871 11.253 1.00 0.00 H new ATOM 0 HE1 PHE A 107 102.457 5.049 15.336 1.00 0.00 H new ATOM 0 HE2 PHE A 107 99.659 4.634 12.105 1.00 0.00 H new ATOM 0 HZ PHE A 107 100.732 3.724 14.146 1.00 0.00 H new ATOM 1600 N SER A 108 103.848 6.636 10.018 1.00 0.00 N ATOM 1601 CA SER A 108 103.667 5.760 8.860 1.00 0.00 C ATOM 1602 C SER A 108 103.031 4.439 9.276 1.00 0.00 C ATOM 1603 O SER A 108 103.356 3.890 10.328 1.00 0.00 O ATOM 1604 CB SER A 108 105.020 5.487 8.205 1.00 0.00 C ATOM 1605 OG SER A 108 105.611 6.720 7.817 1.00 0.00 O ATOM 0 H SER A 108 104.564 6.332 10.678 1.00 0.00 H new ATOM 0 HA SER A 108 103.006 6.259 8.151 1.00 0.00 H new ATOM 0 HB2 SER A 108 105.674 4.960 8.900 1.00 0.00 H new ATOM 0 HB3 SER A 108 104.893 4.842 7.336 1.00 0.00 H new ATOM 0 HG SER A 108 106.480 6.549 7.398 1.00 0.00 H new ATOM 1611 N TYR A 109 102.128 3.936 8.438 1.00 0.00 N ATOM 1612 CA TYR A 109 101.487 2.644 8.686 1.00 0.00 C ATOM 1613 C TYR A 109 101.625 1.766 7.449 1.00 0.00 C ATOM 1614 O TYR A 109 101.509 2.265 6.331 1.00 0.00 O ATOM 1615 CB TYR A 109 100.005 2.847 9.006 1.00 0.00 C ATOM 1616 CG TYR A 109 99.274 1.563 9.314 1.00 0.00 C ATOM 1617 CD1 TYR A 109 98.664 0.841 8.281 1.00 0.00 C ATOM 1618 CD2 TYR A 109 99.203 1.094 10.631 1.00 0.00 C ATOM 1619 CE1 TYR A 109 97.984 -0.350 8.567 1.00 0.00 C ATOM 1620 CE2 TYR A 109 98.523 -0.096 10.916 1.00 0.00 C ATOM 1621 CZ TYR A 109 97.915 -0.818 9.883 1.00 0.00 C ATOM 1622 OH TYR A 109 97.244 -1.992 10.164 1.00 0.00 O ATOM 0 H TYR A 109 101.823 4.401 7.583 1.00 0.00 H new ATOM 0 HA TYR A 109 101.971 2.161 9.535 1.00 0.00 H new ATOM 0 HB2 TYR A 109 99.914 3.521 9.858 1.00 0.00 H new ATOM 0 HB3 TYR A 109 99.523 3.336 8.160 1.00 0.00 H new ATOM 0 HD1 TYR A 109 98.718 1.202 7.265 1.00 0.00 H new ATOM 0 HD2 TYR A 109 99.673 1.651 11.428 1.00 0.00 H new ATOM 0 HE1 TYR A 109 97.513 -0.907 7.771 1.00 0.00 H new ATOM 0 HE2 TYR A 109 98.468 -0.457 11.933 1.00 0.00 H new ATOM 0 HH TYR A 109 97.292 -2.174 11.126 1.00 0.00 H new ATOM 1632 N GLY A 110 101.882 0.470 7.641 1.00 0.00 N ATOM 1633 CA GLY A 110 102.105 -0.412 6.500 1.00 0.00 C ATOM 1634 C GLY A 110 101.558 -1.813 6.743 1.00 0.00 C ATOM 1635 O GLY A 110 101.363 -2.227 7.883 1.00 0.00 O ATOM 0 H GLY A 110 101.939 0.019 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 110 101.631 0.013 5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 110 103.173 -0.471 6.292 1.00 0.00 H new ATOM 1639 N ALA A 111 101.329 -2.530 5.649 1.00 0.00 N ATOM 1640 CA ALA A 111 100.905 -3.923 5.727 1.00 0.00 C ATOM 1641 C ALA A 111 101.469 -4.707 4.545 1.00 0.00 C ATOM 1642 O ALA A 111 101.644 -4.152 3.461 1.00 0.00 O ATOM 1643 CB ALA A 111 99.379 -4.011 5.724 1.00 0.00 C ATOM 0 H ALA A 111 101.429 -2.171 4.700 1.00 0.00 H new ATOM 0 HA ALA A 111 101.283 -4.352 6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 111 99.075 -5.056 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 111 98.982 -3.469 6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 111 98.991 -3.571 4.805 1.00 0.00 H new ATOM 1649 N GLY A 112 101.741 -5.991 4.750 1.00 0.00 N ATOM 1650 CA GLY A 112 102.328 -6.806 3.687 1.00 0.00 C ATOM 1651 C GLY A 112 101.964 -8.282 3.819 1.00 0.00 C ATOM 1652 O GLY A 112 101.565 -8.740 4.888 1.00 0.00 O ATOM 0 H GLY A 112 101.569 -6.485 5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 112 101.989 -6.436 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 112 103.413 -6.699 3.707 1.00 0.00 H new ATOM 1656 N LEU A 113 102.132 -9.015 2.718 1.00 0.00 N ATOM 1657 CA LEU A 113 101.851 -10.449 2.690 1.00 0.00 C ATOM 1658 C LEU A 113 103.065 -11.192 2.142 1.00 0.00 C ATOM 1659 O LEU A 113 103.807 -10.628 1.337 1.00 0.00 O ATOM 1660 CB LEU A 113 100.632 -10.736 1.808 1.00 0.00 C ATOM 1661 CG LEU A 113 99.423 -9.940 2.309 1.00 0.00 C ATOM 1662 CD1 LEU A 113 98.247 -10.151 1.355 1.00 0.00 C ATOM 1663 CD2 LEU A 113 99.031 -10.427 3.705 1.00 0.00 C ATOM 0 H LEU A 113 102.463 -8.636 1.831 1.00 0.00 H new ATOM 0 HA LEU A 113 101.638 -10.788 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 113 100.850 -10.469 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 113 100.406 -11.802 1.821 1.00 0.00 H new ATOM 0 HG LEU A 113 99.679 -8.881 2.351 1.00 0.00 H new ATOM 0 HD11 LEU A 113 97.385 -9.586 1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 113 98.521 -9.807 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 113 97.995 -11.211 1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 113 98.171 -9.860 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 113 98.775 -11.486 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 113 99.868 -10.283 4.389 1.00 0.00 H new ATOM 1675 N GLN A 114 103.281 -12.443 2.564 1.00 0.00 N ATOM 1676 CA GLN A 114 104.463 -13.184 2.118 1.00 0.00 C ATOM 1677 C GLN A 114 104.114 -14.550 1.542 1.00 0.00 C ATOM 1678 O GLN A 114 103.171 -15.212 1.977 1.00 0.00 O ATOM 1679 CB GLN A 114 105.440 -13.381 3.275 1.00 0.00 C ATOM 1680 CG GLN A 114 106.030 -12.031 3.686 1.00 0.00 C ATOM 1681 CD GLN A 114 106.982 -12.210 4.863 1.00 0.00 C ATOM 1682 OE1 GLN A 114 106.858 -13.167 5.628 1.00 0.00 O ATOM 1683 NE2 GLN A 114 107.948 -11.352 5.039 1.00 0.00 N ATOM 0 H GLN A 114 102.667 -12.953 3.199 1.00 0.00 H new ATOM 0 HA GLN A 114 104.920 -12.585 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 114 104.928 -13.838 4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 114 106.237 -14.062 2.978 1.00 0.00 H new ATOM 0 HG2 GLN A 114 106.560 -11.586 2.844 1.00 0.00 H new ATOM 0 HG3 GLN A 114 105.229 -11.343 3.958 1.00 0.00 H new ATOM 0 HE21 GLN A 114 108.049 -10.560 4.404 1.00 0.00 H new ATOM 0 HE22 GLN A 114 108.603 -11.473 5.812 1.00 0.00 H new ATOM 1692 N PHE A 115 104.903 -14.954 0.553 1.00 0.00 N ATOM 1693 CA PHE A 115 104.876 -16.320 0.051 1.00 0.00 C ATOM 1694 C PHE A 115 106.294 -16.858 0.160 1.00 0.00 C ATOM 1695 O PHE A 115 107.194 -16.360 -0.516 1.00 0.00 O ATOM 1696 CB PHE A 115 104.415 -16.349 -1.409 1.00 0.00 C ATOM 1697 CG PHE A 115 104.241 -17.746 -1.957 1.00 0.00 C ATOM 1698 CD1 PHE A 115 103.005 -18.392 -1.847 1.00 0.00 C ATOM 1699 CD2 PHE A 115 105.317 -18.392 -2.578 1.00 0.00 C ATOM 1700 CE1 PHE A 115 102.844 -19.686 -2.358 1.00 0.00 C ATOM 1701 CE2 PHE A 115 105.156 -19.685 -3.088 1.00 0.00 C ATOM 1702 CZ PHE A 115 103.919 -20.333 -2.978 1.00 0.00 C ATOM 0 H PHE A 115 105.574 -14.348 0.081 1.00 0.00 H new ATOM 0 HA PHE A 115 104.178 -16.927 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 115 103.470 -15.813 -1.494 1.00 0.00 H new ATOM 0 HB3 PHE A 115 105.141 -15.814 -2.022 1.00 0.00 H new ATOM 0 HD1 PHE A 115 102.175 -17.893 -1.368 1.00 0.00 H new ATOM 0 HD2 PHE A 115 106.271 -17.892 -2.663 1.00 0.00 H new ATOM 0 HE1 PHE A 115 101.890 -20.185 -2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 115 105.986 -20.184 -3.567 1.00 0.00 H new ATOM 0 HZ PHE A 115 103.795 -21.331 -3.371 1.00 0.00 H new ATOM 1712 N ASN A 116 106.510 -17.837 1.038 1.00 0.00 N ATOM 1713 CA ASN A 116 107.875 -18.228 1.388 1.00 0.00 C ATOM 1714 C ASN A 116 108.204 -19.665 0.982 1.00 0.00 C ATOM 1715 O ASN A 116 107.507 -20.602 1.371 1.00 0.00 O ATOM 1716 CB ASN A 116 108.026 -18.113 2.906 1.00 0.00 C ATOM 1717 CG ASN A 116 109.495 -17.959 3.285 1.00 0.00 C ATOM 1718 OD1 ASN A 116 109.960 -16.848 3.540 1.00 0.00 O ATOM 1719 ND2 ASN A 116 110.257 -19.017 3.345 1.00 0.00 N ATOM 0 H ASN A 116 105.776 -18.364 1.511 1.00 0.00 H new ATOM 0 HA ASN A 116 108.558 -17.570 0.851 1.00 0.00 H new ATOM 0 HB2 ASN A 116 107.458 -17.257 3.270 1.00 0.00 H new ATOM 0 HB3 ASN A 116 107.611 -18.999 3.387 1.00 0.00 H new ATOM 0 HD21 ASN A 116 111.239 -18.924 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 116 109.870 -19.937 3.133 1.00 0.00 H new ATOM 1726 N PRO A 117 109.247 -19.853 0.208 1.00 0.00 N ATOM 1727 CA PRO A 117 109.996 -21.129 0.143 1.00 0.00 C ATOM 1728 C PRO A 117 111.342 -20.962 0.846 1.00 0.00 C ATOM 1729 O PRO A 117 111.676 -19.859 1.276 1.00 0.00 O ATOM 1730 CB PRO A 117 110.181 -21.345 -1.363 1.00 0.00 C ATOM 1731 CG PRO A 117 109.991 -20.003 -2.002 1.00 0.00 C ATOM 1732 CD PRO A 117 109.726 -18.996 -0.879 1.00 0.00 C ATOM 0 HA PRO A 117 109.495 -21.968 0.627 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.172 -21.743 -1.581 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.457 -22.065 -1.745 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.877 -19.720 -2.571 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.156 -20.026 -2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 117 110.629 -18.453 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 117 108.983 -18.253 -1.167 1.00 0.00 H new ATOM 1740 N MET A 118 112.112 -22.038 0.950 1.00 0.00 N ATOM 1741 CA MET A 118 113.402 -21.968 1.629 1.00 0.00 C ATOM 1742 C MET A 118 114.346 -21.013 0.901 1.00 0.00 C ATOM 1743 O MET A 118 114.179 -20.747 -0.288 1.00 0.00 O ATOM 1744 CB MET A 118 114.034 -23.359 1.693 1.00 0.00 C ATOM 1745 CG MET A 118 113.160 -24.278 2.550 1.00 0.00 C ATOM 1746 SD MET A 118 114.006 -25.858 2.815 1.00 0.00 S ATOM 1747 CE MET A 118 114.140 -26.350 1.079 1.00 0.00 C ATOM 0 H MET A 118 111.872 -22.957 0.579 1.00 0.00 H new ATOM 0 HA MET A 118 113.236 -21.595 2.640 1.00 0.00 H new ATOM 0 HB2 MET A 118 114.137 -23.770 0.689 1.00 0.00 H new ATOM 0 HB3 MET A 118 115.037 -23.295 2.115 1.00 0.00 H new ATOM 0 HG2 MET A 118 112.948 -23.804 3.508 1.00 0.00 H new ATOM 0 HG3 MET A 118 112.202 -24.446 2.058 1.00 0.00 H new ATOM 0 HE1 MET A 118 114.266 -27.431 1.016 1.00 0.00 H new ATOM 0 HE2 MET A 118 113.234 -26.058 0.547 1.00 0.00 H new ATOM 0 HE3 MET A 118 115.001 -25.857 0.627 1.00 0.00 H new ATOM 1757 N GLU A 119 115.323 -20.483 1.640 1.00 0.00 N ATOM 1758 CA GLU A 119 116.390 -19.660 1.063 1.00 0.00 C ATOM 1759 C GLU A 119 115.850 -18.317 0.542 1.00 0.00 C ATOM 1760 O GLU A 119 114.715 -17.944 0.833 1.00 0.00 O ATOM 1761 CB GLU A 119 117.107 -20.453 -0.045 1.00 0.00 C ATOM 1762 CG GLU A 119 117.670 -21.755 0.541 1.00 0.00 C ATOM 1763 CD GLU A 119 118.477 -22.542 -0.496 1.00 0.00 C ATOM 1764 OE1 GLU A 119 118.436 -22.202 -1.669 1.00 0.00 O ATOM 1765 OE2 GLU A 119 119.134 -23.489 -0.094 1.00 0.00 O ATOM 0 H GLU A 119 115.398 -20.611 2.649 1.00 0.00 H new ATOM 0 HA GLU A 119 117.111 -19.421 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 119 116.412 -20.676 -0.855 1.00 0.00 H new ATOM 0 HB3 GLU A 119 117.913 -19.855 -0.472 1.00 0.00 H new ATOM 0 HG2 GLU A 119 118.304 -21.524 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 119 116.851 -22.372 0.909 1.00 0.00 H new ATOM 1772 N ASN A 120 116.666 -17.611 -0.247 1.00 0.00 N ATOM 1773 CA ASN A 120 116.364 -16.264 -0.743 1.00 0.00 C ATOM 1774 C ASN A 120 115.076 -16.174 -1.566 1.00 0.00 C ATOM 1775 O ASN A 120 114.596 -15.078 -1.843 1.00 0.00 O ATOM 1776 CB ASN A 120 117.530 -15.769 -1.601 1.00 0.00 C ATOM 1777 CG ASN A 120 118.818 -15.771 -0.783 1.00 0.00 C ATOM 1778 OD1 ASN A 120 119.854 -16.235 -1.257 1.00 0.00 O ATOM 1779 ND2 ASN A 120 118.816 -15.273 0.423 1.00 0.00 N ATOM 0 H ASN A 120 117.569 -17.964 -0.564 1.00 0.00 H new ATOM 0 HA ASN A 120 116.217 -15.642 0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 120 117.645 -16.408 -2.477 1.00 0.00 H new ATOM 0 HB3 ASN A 120 117.323 -14.763 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 120 119.674 -15.268 0.974 1.00 0.00 H new ATOM 0 HD22 ASN A 120 117.956 -14.889 0.815 1.00 0.00 H new ATOM 1786 N VAL A 121 114.502 -17.310 -1.943 1.00 0.00 N ATOM 1787 CA VAL A 121 113.426 -17.348 -2.938 1.00 0.00 C ATOM 1788 C VAL A 121 112.062 -16.936 -2.342 1.00 0.00 C ATOM 1789 O VAL A 121 111.021 -17.199 -2.946 1.00 0.00 O ATOM 1790 CB VAL A 121 113.344 -18.750 -3.590 1.00 0.00 C ATOM 1791 CG1 VAL A 121 112.446 -18.707 -4.837 1.00 0.00 C ATOM 1792 CG2 VAL A 121 114.735 -19.242 -4.026 1.00 0.00 C ATOM 0 H VAL A 121 114.763 -18.225 -1.575 1.00 0.00 H new ATOM 0 HA VAL A 121 113.668 -16.615 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 121 112.931 -19.429 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 121 112.398 -19.700 -5.285 1.00 0.00 H new ATOM 0 HG12 VAL A 121 111.443 -18.388 -4.552 1.00 0.00 H new ATOM 0 HG13 VAL A 121 112.859 -18.003 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 121 114.646 -20.229 -4.480 1.00 0.00 H new ATOM 0 HG22 VAL A 121 115.157 -18.546 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 121 115.389 -19.301 -3.156 1.00 0.00 H new ATOM 1802 N ALA A 122 112.044 -16.268 -1.178 1.00 0.00 N ATOM 1803 CA ALA A 122 110.777 -15.860 -0.570 1.00 0.00 C ATOM 1804 C ALA A 122 110.557 -14.362 -0.768 1.00 0.00 C ATOM 1805 O ALA A 122 111.486 -13.571 -0.626 1.00 0.00 O ATOM 1806 CB ALA A 122 110.802 -16.170 0.929 1.00 0.00 C ATOM 0 H ALA A 122 112.877 -16.005 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 122 109.966 -16.409 -1.047 1.00 0.00 H new ATOM 0 HB1 ALA A 122 109.857 -15.865 1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 122 110.946 -17.240 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 122 111.621 -15.625 1.400 1.00 0.00 H new ATOM 1812 N LEU A 123 109.318 -13.984 -1.096 1.00 0.00 N ATOM 1813 CA LEU A 123 109.025 -12.609 -1.502 1.00 0.00 C ATOM 1814 C LEU A 123 107.958 -11.977 -0.612 1.00 0.00 C ATOM 1815 O LEU A 123 107.047 -12.659 -0.140 1.00 0.00 O ATOM 1816 CB LEU A 123 108.538 -12.585 -2.954 1.00 0.00 C ATOM 1817 CG LEU A 123 109.635 -13.117 -3.883 1.00 0.00 C ATOM 1818 CD1 LEU A 123 109.539 -14.644 -3.975 1.00 0.00 C ATOM 1819 CD2 LEU A 123 109.463 -12.515 -5.279 1.00 0.00 C ATOM 0 H LEU A 123 108.509 -14.605 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 123 109.946 -12.034 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 123 107.638 -13.192 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 123 108.270 -11.568 -3.240 1.00 0.00 H new ATOM 0 HG LEU A 123 110.609 -12.837 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 123 110.320 -15.019 -4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 123 109.665 -15.077 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 123 108.563 -14.924 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 123 110.244 -12.895 -5.938 1.00 0.00 H new ATOM 0 HD22 LEU A 123 108.487 -12.792 -5.677 1.00 0.00 H new ATOM 0 HD23 LEU A 123 109.536 -11.429 -5.218 1.00 0.00 H new ATOM 1831 N ASP A 124 108.073 -10.667 -0.409 1.00 0.00 N ATOM 1832 CA ASP A 124 107.111 -9.928 0.403 1.00 0.00 C ATOM 1833 C ASP A 124 106.672 -8.658 -0.318 1.00 0.00 C ATOM 1834 O ASP A 124 107.499 -7.954 -0.896 1.00 0.00 O ATOM 1835 CB ASP A 124 107.751 -9.550 1.743 1.00 0.00 C ATOM 1836 CG ASP A 124 106.711 -8.947 2.684 1.00 0.00 C ATOM 1837 OD1 ASP A 124 105.553 -9.322 2.588 1.00 0.00 O ATOM 1838 OD2 ASP A 124 107.088 -8.114 3.490 1.00 0.00 O ATOM 0 H ASP A 124 108.824 -10.095 -0.796 1.00 0.00 H new ATOM 0 HA ASP A 124 106.240 -10.561 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 124 108.196 -10.433 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 124 108.558 -8.836 1.578 1.00 0.00 H new ATOM 1843 N PHE A 125 105.370 -8.375 -0.290 1.00 0.00 N ATOM 1844 CA PHE A 125 104.838 -7.161 -0.911 1.00 0.00 C ATOM 1845 C PHE A 125 104.139 -6.314 0.147 1.00 0.00 C ATOM 1846 O PHE A 125 103.321 -6.834 0.903 1.00 0.00 O ATOM 1847 CB PHE A 125 103.845 -7.530 -2.013 1.00 0.00 C ATOM 1848 CG PHE A 125 103.351 -6.340 -2.803 1.00 0.00 C ATOM 1849 CD1 PHE A 125 102.206 -5.652 -2.388 1.00 0.00 C ATOM 1850 CD2 PHE A 125 104.040 -5.927 -3.949 1.00 0.00 C ATOM 1851 CE1 PHE A 125 101.748 -4.549 -3.120 1.00 0.00 C ATOM 1852 CE2 PHE A 125 103.584 -4.824 -4.681 1.00 0.00 C ATOM 1853 CZ PHE A 125 102.438 -4.136 -4.267 1.00 0.00 C ATOM 0 H PHE A 125 104.667 -8.966 0.153 1.00 0.00 H new ATOM 0 HA PHE A 125 105.659 -6.593 -1.349 1.00 0.00 H new ATOM 0 HB2 PHE A 125 104.317 -8.238 -2.694 1.00 0.00 H new ATOM 0 HB3 PHE A 125 102.991 -8.039 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 125 101.675 -5.971 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 125 104.924 -6.459 -4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 125 100.864 -4.018 -2.800 1.00 0.00 H new ATOM 0 HE2 PHE A 125 104.116 -4.504 -5.565 1.00 0.00 H new ATOM 0 HZ PHE A 125 102.085 -3.286 -4.832 1.00 0.00 H new ATOM 1863 N SER A 126 104.459 -5.020 0.204 1.00 0.00 N ATOM 1864 CA SER A 126 103.901 -4.162 1.246 1.00 0.00 C ATOM 1865 C SER A 126 103.535 -2.789 0.696 1.00 0.00 C ATOM 1866 O SER A 126 104.101 -2.338 -0.296 1.00 0.00 O ATOM 1867 CB SER A 126 104.913 -3.999 2.379 1.00 0.00 C ATOM 1868 OG SER A 126 105.228 -5.279 2.912 1.00 0.00 O ATOM 0 H SER A 126 105.090 -4.552 -0.447 1.00 0.00 H new ATOM 0 HA SER A 126 102.994 -4.636 1.621 1.00 0.00 H new ATOM 0 HB2 SER A 126 105.816 -3.514 2.009 1.00 0.00 H new ATOM 0 HB3 SER A 126 104.503 -3.358 3.159 1.00 0.00 H new ATOM 0 HG SER A 126 105.878 -5.180 3.638 1.00 0.00 H new ATOM 1874 N TYR A 127 102.576 -2.139 1.345 1.00 0.00 N ATOM 1875 CA TYR A 127 102.219 -0.764 1.013 1.00 0.00 C ATOM 1876 C TYR A 127 102.238 0.079 2.285 1.00 0.00 C ATOM 1877 O TYR A 127 101.902 -0.416 3.362 1.00 0.00 O ATOM 1878 CB TYR A 127 100.834 -0.723 0.359 1.00 0.00 C ATOM 1879 CG TYR A 127 99.697 -1.094 1.287 1.00 0.00 C ATOM 1880 CD1 TYR A 127 99.290 -2.429 1.398 1.00 0.00 C ATOM 1881 CD2 TYR A 127 99.055 -0.101 2.036 1.00 0.00 C ATOM 1882 CE1 TYR A 127 98.238 -2.770 2.257 1.00 0.00 C ATOM 1883 CE2 TYR A 127 98.004 -0.444 2.896 1.00 0.00 C ATOM 1884 CZ TYR A 127 97.597 -1.778 3.006 1.00 0.00 C ATOM 1885 OH TYR A 127 96.561 -2.115 3.854 1.00 0.00 O ATOM 0 H TYR A 127 102.030 -2.543 2.106 1.00 0.00 H new ATOM 0 HA TYR A 127 102.941 -0.358 0.305 1.00 0.00 H new ATOM 0 HB2 TYR A 127 100.658 0.280 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.827 -1.401 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 127 99.787 -3.195 0.822 1.00 0.00 H new ATOM 0 HD2 TYR A 127 99.370 0.929 1.951 1.00 0.00 H new ATOM 0 HE1 TYR A 127 97.922 -3.799 2.341 1.00 0.00 H new ATOM 0 HE2 TYR A 127 97.508 0.321 3.474 1.00 0.00 H new ATOM 0 HH TYR A 127 96.227 -1.308 4.300 1.00 0.00 H new ATOM 1895 N GLU A 128 102.641 1.339 2.157 1.00 0.00 N ATOM 1896 CA GLU A 128 102.739 2.225 3.312 1.00 0.00 C ATOM 1897 C GLU A 128 102.109 3.574 2.994 1.00 0.00 C ATOM 1898 O GLU A 128 102.163 4.044 1.858 1.00 0.00 O ATOM 1899 CB GLU A 128 104.205 2.430 3.703 1.00 0.00 C ATOM 1900 CG GLU A 128 104.820 1.097 4.144 1.00 0.00 C ATOM 1901 CD GLU A 128 105.155 0.206 2.946 1.00 0.00 C ATOM 1902 OE1 GLU A 128 105.276 0.723 1.845 1.00 0.00 O ATOM 1903 OE2 GLU A 128 105.284 -0.988 3.148 1.00 0.00 O ATOM 0 H GLU A 128 102.904 1.768 1.270 1.00 0.00 H new ATOM 0 HA GLU A 128 102.207 1.764 4.144 1.00 0.00 H new ATOM 0 HB2 GLU A 128 104.762 2.835 2.858 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.276 3.158 4.511 1.00 0.00 H new ATOM 0 HG2 GLU A 128 105.725 1.287 4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 128 104.125 0.576 4.803 1.00 0.00 H new ATOM 1910 N GLN A 129 101.509 4.195 4.006 1.00 0.00 N ATOM 1911 CA GLN A 129 100.867 5.492 3.826 1.00 0.00 C ATOM 1912 C GLN A 129 101.336 6.481 4.884 1.00 0.00 C ATOM 1913 O GLN A 129 101.465 6.138 6.060 1.00 0.00 O ATOM 1914 CB GLN A 129 99.344 5.347 3.891 1.00 0.00 C ATOM 1915 CG GLN A 129 98.691 6.686 3.539 1.00 0.00 C ATOM 1916 CD GLN A 129 97.183 6.611 3.746 1.00 0.00 C ATOM 1917 OE1 GLN A 129 96.718 6.203 4.811 1.00 0.00 O ATOM 1918 NE2 GLN A 129 96.387 6.998 2.786 1.00 0.00 N ATOM 0 H GLN A 129 101.454 3.823 4.954 1.00 0.00 H new ATOM 0 HA GLN A 129 101.148 5.873 2.844 1.00 0.00 H new ATOM 0 HB2 GLN A 129 99.011 4.574 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 129 99.040 5.033 4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 129 99.111 7.477 4.160 1.00 0.00 H new ATOM 0 HG3 GLN A 129 98.910 6.944 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 129 96.776 7.335 1.906 1.00 0.00 H new ATOM 0 HE22 GLN A 129 95.376 6.963 2.917 1.00 0.00 H new ATOM 1927 N SER A 130 101.623 7.696 4.428 1.00 0.00 N ATOM 1928 CA SER A 130 101.925 8.812 5.311 1.00 0.00 C ATOM 1929 C SER A 130 100.705 9.721 5.357 1.00 0.00 C ATOM 1930 O SER A 130 100.095 9.977 4.313 1.00 0.00 O ATOM 1931 CB SER A 130 103.140 9.598 4.819 1.00 0.00 C ATOM 1932 OG SER A 130 103.651 10.383 5.888 1.00 0.00 O ATOM 0 H SER A 130 101.652 7.932 3.436 1.00 0.00 H new ATOM 0 HA SER A 130 102.162 8.431 6.305 1.00 0.00 H new ATOM 0 HB2 SER A 130 103.907 8.915 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 130 102.860 10.239 3.983 1.00 0.00 H new ATOM 0 HG SER A 130 104.432 10.888 5.579 1.00 0.00 H new ATOM 1938 N ARG A 131 100.450 10.314 6.520 1.00 0.00 N ATOM 1939 CA ARG A 131 99.140 10.871 6.839 1.00 0.00 C ATOM 1940 C ARG A 131 99.081 12.321 6.378 1.00 0.00 C ATOM 1941 O ARG A 131 100.079 13.040 6.414 1.00 0.00 O ATOM 1942 CB ARG A 131 98.862 10.759 8.344 1.00 0.00 C ATOM 1943 CG ARG A 131 99.856 11.604 9.148 1.00 0.00 C ATOM 1944 CD ARG A 131 99.670 11.327 10.641 1.00 0.00 C ATOM 1945 NE ARG A 131 100.524 12.215 11.434 1.00 0.00 N ATOM 1946 CZ ARG A 131 100.259 12.557 12.704 1.00 0.00 C ATOM 1947 NH1 ARG A 131 99.199 12.118 13.341 1.00 0.00 N ATOM 1948 NH2 ARG A 131 101.083 13.356 13.328 1.00 0.00 N ATOM 0 H ARG A 131 101.141 10.421 7.263 1.00 0.00 H new ATOM 0 HA ARG A 131 98.369 10.305 6.317 1.00 0.00 H new ATOM 0 HB2 ARG A 131 97.845 11.088 8.555 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.931 9.716 8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 131 100.877 11.368 8.848 1.00 0.00 H new ATOM 0 HG3 ARG A 131 99.700 12.663 8.941 1.00 0.00 H new ATOM 0 HD2 ARG A 131 98.626 11.473 10.917 1.00 0.00 H new ATOM 0 HD3 ARG A 131 99.914 10.287 10.858 1.00 0.00 H new ATOM 0 HE ARG A 131 101.365 12.593 10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 131 98.543 11.495 12.870 1.00 0.00 H new ATOM 0 HH12 ARG A 131 99.031 12.400 14.307 1.00 0.00 H new ATOM 0 HH21 ARG A 131 101.912 13.709 12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 131 100.898 13.627 14.294 1.00 0.00 H new ATOM 1962 N ILE A 132 97.898 12.739 5.944 1.00 0.00 N ATOM 1963 CA ILE A 132 97.807 13.660 4.822 1.00 0.00 C ATOM 1964 C ILE A 132 97.880 15.128 5.249 1.00 0.00 C ATOM 1965 O ILE A 132 96.951 15.704 5.816 1.00 0.00 O ATOM 1966 CB ILE A 132 96.491 13.407 4.059 1.00 0.00 C ATOM 1967 CG1 ILE A 132 96.422 11.944 3.600 1.00 0.00 C ATOM 1968 CG2 ILE A 132 96.410 14.311 2.818 1.00 0.00 C ATOM 1969 CD1 ILE A 132 95.012 11.623 3.102 1.00 0.00 C ATOM 0 H ILE A 132 97.003 12.460 6.345 1.00 0.00 H new ATOM 0 HA ILE A 132 98.667 13.473 4.179 1.00 0.00 H new ATOM 0 HB ILE A 132 95.661 13.628 4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 132 97.147 11.768 2.805 1.00 0.00 H new ATOM 0 HG13 ILE A 132 96.686 11.282 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 132 95.476 14.121 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 132 96.447 15.356 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 132 97.250 14.098 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 132 94.969 10.583 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 132 94.296 11.781 3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 132 94.765 12.275 2.264 1.00 0.00 H new ATOM 1981 N ARG A 133 99.043 15.686 4.937 1.00 0.00 N ATOM 1982 CA ARG A 133 99.247 17.116 4.756 1.00 0.00 C ATOM 1983 C ARG A 133 98.986 17.428 3.280 1.00 0.00 C ATOM 1984 O ARG A 133 98.567 16.548 2.518 1.00 0.00 O ATOM 1985 CB ARG A 133 100.679 17.504 5.128 1.00 0.00 C ATOM 1986 CG ARG A 133 100.929 17.196 6.606 1.00 0.00 C ATOM 1987 CD ARG A 133 102.327 17.675 6.997 1.00 0.00 C ATOM 1988 NE ARG A 133 102.664 17.208 8.345 1.00 0.00 N ATOM 1989 CZ ARG A 133 103.033 15.948 8.621 1.00 0.00 C ATOM 1990 NH1 ARG A 133 103.117 15.024 7.694 1.00 0.00 N ATOM 1991 NH2 ARG A 133 103.315 15.628 9.855 1.00 0.00 N ATOM 0 H ARG A 133 99.894 15.140 4.799 1.00 0.00 H new ATOM 0 HA ARG A 133 98.573 17.682 5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 133 101.388 16.956 4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 133 100.841 18.565 4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 133 100.178 17.689 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 133 100.836 16.125 6.786 1.00 0.00 H new ATOM 0 HD2 ARG A 133 103.060 17.303 6.281 1.00 0.00 H new ATOM 0 HD3 ARG A 133 102.370 18.764 6.960 1.00 0.00 H new ATOM 0 HE ARG A 133 102.615 17.876 9.114 1.00 0.00 H new ATOM 0 HH11 ARG A 133 102.898 15.253 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 133 103.401 14.077 7.943 1.00 0.00 H new ATOM 0 HH21 ARG A 133 103.253 16.331 10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 133 103.597 14.675 10.083 1.00 0.00 H new ATOM 2005 N SER A 134 99.180 18.678 2.866 1.00 0.00 N ATOM 2006 CA SER A 134 98.856 19.069 1.489 1.00 0.00 C ATOM 2007 C SER A 134 99.506 18.141 0.444 1.00 0.00 C ATOM 2008 O SER A 134 99.135 18.187 -0.729 1.00 0.00 O ATOM 2009 CB SER A 134 99.317 20.505 1.239 1.00 0.00 C ATOM 2010 OG SER A 134 100.736 20.548 1.256 1.00 0.00 O ATOM 0 H SER A 134 99.553 19.428 3.449 1.00 0.00 H new ATOM 0 HA SER A 134 97.775 18.988 1.378 1.00 0.00 H new ATOM 0 HB2 SER A 134 98.942 20.858 0.279 1.00 0.00 H new ATOM 0 HB3 SER A 134 98.912 21.168 2.003 1.00 0.00 H new ATOM 0 HG SER A 134 101.037 21.466 1.094 1.00 0.00 H new ATOM 2016 N VAL A 135 100.466 17.303 0.848 1.00 0.00 N ATOM 2017 CA VAL A 135 100.939 16.206 0.003 1.00 0.00 C ATOM 2018 C VAL A 135 100.725 14.866 0.721 1.00 0.00 C ATOM 2019 O VAL A 135 101.047 14.727 1.899 1.00 0.00 O ATOM 2020 CB VAL A 135 102.422 16.410 -0.333 1.00 0.00 C ATOM 2021 CG1 VAL A 135 103.260 16.400 0.949 1.00 0.00 C ATOM 2022 CG2 VAL A 135 102.901 15.294 -1.263 1.00 0.00 C ATOM 0 H VAL A 135 100.929 17.365 1.755 1.00 0.00 H new ATOM 0 HA VAL A 135 100.371 16.195 -0.927 1.00 0.00 H new ATOM 0 HB VAL A 135 102.540 17.373 -0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 135 104.311 16.546 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 135 102.929 17.204 1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 135 103.137 15.443 1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 135 103.955 15.444 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 135 102.773 14.330 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 135 102.317 15.312 -2.183 1.00 0.00 H new ATOM 2032 N ASP A 136 100.179 13.886 0.000 1.00 0.00 N ATOM 2033 CA ASP A 136 99.894 12.566 0.568 1.00 0.00 C ATOM 2034 C ASP A 136 100.843 11.521 -0.015 1.00 0.00 C ATOM 2035 O ASP A 136 101.122 11.551 -1.215 1.00 0.00 O ATOM 2036 CB ASP A 136 98.442 12.171 0.275 1.00 0.00 C ATOM 2037 CG ASP A 136 98.197 12.045 -1.228 1.00 0.00 C ATOM 2038 OD1 ASP A 136 98.881 12.712 -1.986 1.00 0.00 O ATOM 2039 OD2 ASP A 136 97.324 11.277 -1.599 1.00 0.00 O ATOM 0 H ASP A 136 99.924 13.982 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 136 100.041 12.612 1.647 1.00 0.00 H new ATOM 0 HB2 ASP A 136 98.214 11.224 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 136 97.767 12.917 0.695 1.00 0.00 H new ATOM 2044 N VAL A 137 101.339 10.595 0.814 1.00 0.00 N ATOM 2045 CA VAL A 137 102.382 9.668 0.347 1.00 0.00 C ATOM 2046 C VAL A 137 101.837 8.255 0.164 1.00 0.00 C ATOM 2047 O VAL A 137 101.149 7.722 1.034 1.00 0.00 O ATOM 2048 CB VAL A 137 103.555 9.621 1.336 1.00 0.00 C ATOM 2049 CG1 VAL A 137 104.704 8.809 0.733 1.00 0.00 C ATOM 2050 CG2 VAL A 137 104.058 11.035 1.644 1.00 0.00 C ATOM 0 H VAL A 137 101.048 10.467 1.783 1.00 0.00 H new ATOM 0 HA VAL A 137 102.728 10.042 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 137 103.208 9.155 2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 137 105.536 8.777 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 137 104.364 7.794 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 137 105.032 9.277 -0.195 1.00 0.00 H new ATOM 0 HG21 VAL A 137 104.889 10.980 2.347 1.00 0.00 H new ATOM 0 HG22 VAL A 137 104.393 11.511 0.722 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.250 11.621 2.082 1.00 0.00 H new ATOM 2060 N GLY A 138 102.155 7.656 -0.982 1.00 0.00 N ATOM 2061 CA GLY A 138 101.847 6.250 -1.228 1.00 0.00 C ATOM 2062 C GLY A 138 103.124 5.515 -1.618 1.00 0.00 C ATOM 2063 O GLY A 138 103.806 5.930 -2.554 1.00 0.00 O ATOM 0 H GLY A 138 102.627 8.124 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.413 5.800 -0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 138 101.106 6.162 -2.022 1.00 0.00 H new ATOM 2067 N THR A 139 103.465 4.452 -0.890 1.00 0.00 N ATOM 2068 CA THR A 139 104.714 3.732 -1.142 1.00 0.00 C ATOM 2069 C THR A 139 104.461 2.243 -1.361 1.00 0.00 C ATOM 2070 O THR A 139 103.716 1.622 -0.607 1.00 0.00 O ATOM 2071 CB THR A 139 105.662 3.920 0.044 1.00 0.00 C ATOM 2072 OG1 THR A 139 105.809 5.305 0.314 1.00 0.00 O ATOM 2073 CG2 THR A 139 107.027 3.314 -0.286 1.00 0.00 C ATOM 0 H THR A 139 102.901 4.073 -0.129 1.00 0.00 H new ATOM 0 HA THR A 139 105.164 4.139 -2.048 1.00 0.00 H new ATOM 0 HB THR A 139 105.250 3.420 0.920 1.00 0.00 H new ATOM 0 HG1 THR A 139 106.415 5.428 1.075 1.00 0.00 H new ATOM 0 HG21 THR A 139 107.700 3.450 0.561 1.00 0.00 H new ATOM 0 HG22 THR A 139 106.912 2.250 -0.492 1.00 0.00 H new ATOM 0 HG23 THR A 139 107.443 3.810 -1.163 1.00 0.00 H new ATOM 2081 N TRP A 140 105.090 1.681 -2.391 1.00 0.00 N ATOM 2082 CA TRP A 140 105.002 0.243 -2.647 1.00 0.00 C ATOM 2083 C TRP A 140 106.384 -0.382 -2.481 1.00 0.00 C ATOM 2084 O TRP A 140 107.366 0.169 -2.974 1.00 0.00 O ATOM 2085 CB TRP A 140 104.496 -0.005 -4.069 1.00 0.00 C ATOM 2086 CG TRP A 140 103.108 0.503 -4.303 1.00 0.00 C ATOM 2087 CD1 TRP A 140 102.801 1.655 -4.942 1.00 0.00 C ATOM 2088 CD2 TRP A 140 101.839 -0.102 -3.917 1.00 0.00 C ATOM 2089 NE1 TRP A 140 101.426 1.798 -4.971 1.00 0.00 N ATOM 2090 CE2 TRP A 140 100.788 0.741 -4.353 1.00 0.00 C ATOM 2091 CE3 TRP A 140 101.501 -1.284 -3.239 1.00 0.00 C ATOM 2092 CZ2 TRP A 140 99.448 0.419 -4.123 1.00 0.00 C ATOM 2093 CZ3 TRP A 140 100.157 -1.612 -3.007 1.00 0.00 C ATOM 2094 CH2 TRP A 140 99.132 -0.763 -3.446 1.00 0.00 C ATOM 0 H TRP A 140 105.664 2.195 -3.059 1.00 0.00 H new ATOM 0 HA TRP A 140 104.306 -0.207 -1.939 1.00 0.00 H new ATOM 0 HB2 TRP A 140 105.174 0.473 -4.776 1.00 0.00 H new ATOM 0 HB3 TRP A 140 104.523 -1.075 -4.275 1.00 0.00 H new ATOM 0 HD1 TRP A 140 103.514 2.350 -5.361 1.00 0.00 H new ATOM 0 HE1 TRP A 140 100.942 2.588 -5.397 1.00 0.00 H new ATOM 0 HE3 TRP A 140 102.282 -1.946 -2.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 98.663 1.077 -4.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 99.910 -2.525 -2.486 1.00 0.00 H new ATOM 0 HH2 TRP A 140 98.100 -1.021 -3.262 1.00 0.00 H new ATOM 2105 N ILE A 141 106.463 -1.518 -1.787 1.00 0.00 N ATOM 2106 CA ILE A 141 107.756 -2.131 -1.483 1.00 0.00 C ATOM 2107 C ILE A 141 107.786 -3.579 -1.966 1.00 0.00 C ATOM 2108 O ILE A 141 106.832 -4.327 -1.755 1.00 0.00 O ATOM 2109 CB ILE A 141 108.015 -2.095 0.030 1.00 0.00 C ATOM 2110 CG1 ILE A 141 107.922 -0.654 0.544 1.00 0.00 C ATOM 2111 CG2 ILE A 141 109.415 -2.640 0.333 1.00 0.00 C ATOM 2112 CD1 ILE A 141 108.019 -0.639 2.071 1.00 0.00 C ATOM 0 H ILE A 141 105.656 -2.028 -1.428 1.00 0.00 H new ATOM 0 HA ILE A 141 108.533 -1.566 -1.998 1.00 0.00 H new ATOM 0 HB ILE A 141 107.265 -2.710 0.526 1.00 0.00 H new ATOM 0 HG12 ILE A 141 108.723 -0.053 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 141 106.981 -0.205 0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 141 109.592 -2.611 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.489 -3.669 -0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 141 110.161 -2.028 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 141 107.952 0.388 2.430 1.00 0.00 H new ATOM 0 HD12 ILE A 141 107.202 -1.225 2.493 1.00 0.00 H new ATOM 0 HD13 ILE A 141 108.972 -1.070 2.379 1.00 0.00 H new ATOM 2124 N ALA A 142 108.892 -3.960 -2.599 1.00 0.00 N ATOM 2125 CA ALA A 142 109.111 -5.350 -2.987 1.00 0.00 C ATOM 2126 C ALA A 142 110.428 -5.828 -2.386 1.00 0.00 C ATOM 2127 O ALA A 142 111.464 -5.197 -2.596 1.00 0.00 O ATOM 2128 CB ALA A 142 109.163 -5.472 -4.509 1.00 0.00 C ATOM 0 H ALA A 142 109.650 -3.327 -2.854 1.00 0.00 H new ATOM 0 HA ALA A 142 108.290 -5.964 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 142 109.327 -6.514 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 142 108.220 -5.128 -4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 142 109.979 -4.862 -4.895 1.00 0.00 H new ATOM 2134 N GLY A 143 110.390 -6.923 -1.630 1.00 0.00 N ATOM 2135 CA GLY A 143 111.585 -7.393 -0.932 1.00 0.00 C ATOM 2136 C GLY A 143 111.800 -8.889 -1.118 1.00 0.00 C ATOM 2137 O GLY A 143 110.850 -9.644 -1.319 1.00 0.00 O ATOM 0 H GLY A 143 109.558 -7.495 -1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.457 -6.852 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY A 143 111.496 -7.168 0.131 1.00 0.00 H new ATOM 2141 N VAL A 144 113.062 -9.299 -1.028 1.00 0.00 N ATOM 2142 CA VAL A 144 113.433 -10.702 -1.164 1.00 0.00 C ATOM 2143 C VAL A 144 114.226 -11.117 0.071 1.00 0.00 C ATOM 2144 O VAL A 144 115.030 -10.333 0.574 1.00 0.00 O ATOM 2145 CB VAL A 144 114.285 -10.888 -2.426 1.00 0.00 C ATOM 2146 CG1 VAL A 144 114.642 -12.363 -2.602 1.00 0.00 C ATOM 2147 CG2 VAL A 144 113.500 -10.414 -3.653 1.00 0.00 C ATOM 0 H VAL A 144 113.850 -8.673 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 144 112.540 -11.321 -1.251 1.00 0.00 H new ATOM 0 HB VAL A 144 115.199 -10.302 -2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 144 115.247 -12.486 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 144 115.206 -12.707 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 144 113.728 -12.950 -2.697 1.00 0.00 H new ATOM 0 HG21 VAL A 144 114.108 -10.547 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 144 112.584 -10.997 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 144 113.249 -9.360 -3.539 1.00 0.00 H new ATOM 2157 N GLY A 145 113.979 -12.324 0.578 1.00 0.00 N ATOM 2158 CA GLY A 145 114.642 -12.758 1.804 1.00 0.00 C ATOM 2159 C GLY A 145 114.740 -14.277 1.916 1.00 0.00 C ATOM 2160 O GLY A 145 114.252 -15.019 1.058 1.00 0.00 O ATOM 0 H GLY A 145 113.339 -13.005 0.169 1.00 0.00 H new ATOM 0 HA2 GLY A 145 115.644 -12.330 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 145 114.097 -12.369 2.664 1.00 0.00 H new ATOM 2164 N TYR A 146 115.375 -14.713 3.004 1.00 0.00 N ATOM 2165 CA TYR A 146 115.507 -16.131 3.316 1.00 0.00 C ATOM 2166 C TYR A 146 115.274 -16.359 4.808 1.00 0.00 C ATOM 2167 O TYR A 146 115.334 -15.417 5.598 1.00 0.00 O ATOM 2168 CB TYR A 146 116.897 -16.634 2.909 1.00 0.00 C ATOM 2169 CG TYR A 146 118.031 -16.076 3.746 1.00 0.00 C ATOM 2170 CD1 TYR A 146 118.665 -14.889 3.365 1.00 0.00 C ATOM 2171 CD2 TYR A 146 118.443 -16.751 4.901 1.00 0.00 C ATOM 2172 CE1 TYR A 146 119.712 -14.374 4.139 1.00 0.00 C ATOM 2173 CE2 TYR A 146 119.490 -16.236 5.675 1.00 0.00 C ATOM 2174 CZ TYR A 146 120.124 -15.049 5.295 1.00 0.00 C ATOM 2175 OH TYR A 146 121.157 -14.541 6.059 1.00 0.00 O ATOM 0 H TYR A 146 115.809 -14.095 3.689 1.00 0.00 H new ATOM 0 HA TYR A 146 114.758 -16.690 2.755 1.00 0.00 H new ATOM 0 HB2 TYR A 146 116.911 -17.722 2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 146 117.072 -16.378 1.864 1.00 0.00 H new ATOM 0 HD1 TYR A 146 118.347 -14.369 2.473 1.00 0.00 H new ATOM 0 HD2 TYR A 146 117.954 -17.668 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.201 -13.457 3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 146 119.808 -16.756 6.566 1.00 0.00 H new ATOM 0 HH TYR A 146 121.317 -15.130 6.826 1.00 0.00 H new ATOM 2185 N ARG A 147 115.030 -17.613 5.184 1.00 0.00 N ATOM 2186 CA ARG A 147 114.770 -17.962 6.578 1.00 0.00 C ATOM 2187 C ARG A 147 115.815 -18.951 7.088 1.00 0.00 C ATOM 2188 O ARG A 147 116.340 -19.761 6.324 1.00 0.00 O ATOM 2189 CB ARG A 147 113.377 -18.583 6.704 1.00 0.00 C ATOM 2190 CG ARG A 147 113.046 -18.812 8.181 1.00 0.00 C ATOM 2191 CD ARG A 147 111.620 -19.352 8.306 1.00 0.00 C ATOM 2192 NE ARG A 147 111.548 -20.716 7.775 1.00 0.00 N ATOM 2193 CZ ARG A 147 110.429 -21.254 7.264 1.00 0.00 C ATOM 2194 NH1 ARG A 147 109.299 -20.590 7.202 1.00 0.00 N ATOM 2195 NH2 ARG A 147 110.466 -22.478 6.815 1.00 0.00 N ATOM 0 H ARG A 147 115.007 -18.405 4.541 1.00 0.00 H new ATOM 0 HA ARG A 147 114.823 -17.054 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 147 112.633 -17.926 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 147 113.339 -19.528 6.162 1.00 0.00 H new ATOM 0 HG2 ARG A 147 113.753 -19.517 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 147 113.143 -17.879 8.735 1.00 0.00 H new ATOM 0 HD2 ARG A 147 111.310 -19.344 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 147 110.930 -18.706 7.764 1.00 0.00 H new ATOM 0 HE ARG A 147 112.393 -21.287 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 147 109.251 -19.632 7.549 1.00 0.00 H new ATOM 0 HH12 ARG A 147 108.469 -21.032 6.807 1.00 0.00 H new ATOM 0 HH21 ARG A 147 111.335 -23.010 6.856 1.00 0.00 H new ATOM 0 HH22 ARG A 147 109.626 -22.903 6.423 1.00 0.00 H new ATOM 2209 N PHE A 148 116.117 -18.873 8.383 1.00 0.00 N ATOM 2210 CA PHE A 148 117.105 -19.765 8.984 1.00 0.00 C ATOM 2211 C PHE A 148 118.464 -19.612 8.305 1.00 0.00 C ATOM 2212 O PHE A 148 118.540 -18.894 7.321 1.00 0.00 O ATOM 2213 CB PHE A 148 116.635 -21.216 8.873 1.00 0.00 C ATOM 2214 CG PHE A 148 117.530 -22.195 9.600 1.00 0.00 C ATOM 2215 CD1 PHE A 148 117.370 -22.400 10.975 1.00 0.00 C ATOM 2216 CD2 PHE A 148 118.517 -22.896 8.897 1.00 0.00 C ATOM 2217 CE1 PHE A 148 118.197 -23.308 11.648 1.00 0.00 C ATOM 2218 CE2 PHE A 148 119.344 -23.803 9.569 1.00 0.00 C ATOM 2219 CZ PHE A 148 119.185 -24.009 10.944 1.00 0.00 C ATOM 2220 OXT PHE A 148 119.411 -20.216 8.782 1.00 0.00 O ATOM 0 H PHE A 148 115.696 -18.207 9.031 1.00 0.00 H new ATOM 0 HA PHE A 148 117.211 -19.496 10.035 1.00 0.00 H new ATOM 0 HB2 PHE A 148 115.624 -21.294 9.272 1.00 0.00 H new ATOM 0 HB3 PHE A 148 116.584 -21.494 7.820 1.00 0.00 H new ATOM 0 HD1 PHE A 148 116.609 -21.858 11.517 1.00 0.00 H new ATOM 0 HD2 PHE A 148 118.640 -22.737 7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 148 118.073 -23.468 12.709 1.00 0.00 H new ATOM 0 HE2 PHE A 148 120.105 -24.344 9.026 1.00 0.00 H new ATOM 0 HZ PHE A 148 119.824 -24.708 11.463 1.00 0.00 H new TER 2230 PHE A 148