USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 919 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 37 CYS SG : rot 180:sc= -6.39! USER MOD Set 1.2: A 107 HIS :FLIP no HD1:sc= 0.246 F(o=-6.8,f=-6) USER MOD Set 1.3: A 109 SER OG : rot 42:sc= 0.11 USER MOD Set 2.1: A 103 LYS NZ :NH3+ -160:sc= 1.76 (180deg=0.651) USER MOD Set 2.2: A 105 SER OG : rot 180:sc= 0.216 USER MOD Set 3.1: A 35 THR OG1 : rot 110:sc= -0.455 USER MOD Set 3.2: A 79 GLN : amide:sc= -0.199 K(o=-0.65,f=-2.3!) USER MOD Set 4.1: A 69 ASN :FLIP amide:sc= 0.417 F(o=0.43,f=1.7) USER MOD Set 4.2: A 75 SER OG : rot -124:sc= 1.26 USER MOD Set 5.1: A 53 THR OG1 : rot -21:sc= 0.668 USER MOD Set 5.2: A 91 TYR OH : rot -58:sc= 2.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0143 (180deg=-0.205) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl -159:sc= -0.124 (180deg=-0.618) USER MOD Single : A 11 THR OG1 : rot 85:sc= 0.8 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0389 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc=-0.00538 USER MOD Single : A 29 SER OG : rot 127:sc= 0.14 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -110:sc= -0.254 USER MOD Single : A 38 TYR OH : rot 126:sc= -0.902 USER MOD Single : A 41 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 43 LYS NZ :NH3+ -170:sc= -0.0203 (180deg=-0.184) USER MOD Single : A 45 GLN : amide:sc= 0.999 K(o=1,f=-4.4!) USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.027 (180deg=-0.269) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0643) USER MOD Single : A 55 LYS NZ :NH3+ 171:sc=-0.00798 (180deg=-0.0871) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 THR OG1 : rot -174:sc= -2.56! USER MOD Single : A 68 ASN : amide:sc= -0.879 K(o=-0.88,f=-3.8!) USER MOD Single : A 73 SER OG : rot 90:sc= -0.375 USER MOD Single : A 82 LYS NZ :NH3+ -143:sc= -1.88! (180deg=-3.99!) USER MOD Single : A 84 GLN : amide:sc= -3.06! C(o=-3.1!,f=-6.1!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 HIS :FLIP no HE2:sc= 0.528 F(o=-2!,f=0.53) USER MOD Single : A 94 LYS NZ :NH3+ -161:sc= -0.102 (180deg=-0.477) USER MOD Single : A 96 SER OG : rot -60:sc= 0.686 USER MOD Single : A 98 LYS NZ :NH3+ -162:sc= -2.06! (180deg=-2.66!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0.0286 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 36.990-157.230 56.080 1.00 52.12 N ATOM 2 CA MET A 1 35.981-157.589 55.060 1.00 51.22 C ATOM 3 C MET A 1 34.809-156.615 55.121 1.00 31.51 C ATOM 4 O MET A 1 33.960-156.698 56.014 1.00 43.23 O ATOM 5 CB MET A 1 35.488-159.031 55.267 1.00 33.04 C ATOM 6 CG MET A 1 36.582-160.085 55.143 1.00 72.33 C ATOM 7 SD MET A 1 35.969-161.758 55.428 1.00 4.50 S ATOM 8 CE MET A 1 37.473-162.710 55.209 1.00 20.10 C ATOM 0 H1 MET A 1 37.872-157.748 55.893 1.00 52.12 H new ATOM 0 H2 MET A 1 37.174-156.207 56.041 1.00 52.12 H new ATOM 0 H3 MET A 1 36.634-157.482 57.024 1.00 52.12 H new ATOM 0 HA MET A 1 36.444-157.525 54.075 1.00 51.22 H new ATOM 0 HB2 MET A 1 35.032-159.110 56.254 1.00 33.04 H new ATOM 0 HB3 MET A 1 34.707-159.245 54.537 1.00 33.04 H new ATOM 0 HG2 MET A 1 37.025-160.029 54.149 1.00 72.33 H new ATOM 0 HG3 MET A 1 37.375-159.866 55.858 1.00 72.33 H new ATOM 0 HE1 MET A 1 37.258-163.769 55.354 1.00 20.10 H new ATOM 0 HE2 MET A 1 37.860-162.553 54.202 1.00 20.10 H new ATOM 0 HE3 MET A 1 38.217-162.388 55.938 1.00 20.10 H new ATOM 20 N ALA A 2 34.781-155.681 54.178 1.00 23.30 N ATOM 21 CA ALA A 2 33.719-154.684 54.087 1.00 11.25 C ATOM 22 C ALA A 2 33.356-154.460 52.623 1.00 62.11 C ATOM 23 O ALA A 2 34.243-154.314 51.777 1.00 12.45 O ATOM 24 CB ALA A 2 34.155-153.377 54.741 1.00 63.04 C ATOM 0 H ALA A 2 35.494-155.593 53.454 1.00 23.30 H new ATOM 0 HA ALA A 2 32.840-155.048 54.619 1.00 11.25 H new ATOM 0 HB1 ALA A 2 33.351-152.645 54.664 1.00 63.04 H new ATOM 0 HB2 ALA A 2 34.384-153.555 55.792 1.00 63.04 H new ATOM 0 HB3 ALA A 2 35.042-152.996 54.236 1.00 63.04 H new ATOM 30 N HIS A 3 32.061-154.434 52.322 1.00 20.45 N ATOM 31 CA HIS A 3 31.597-154.366 50.940 1.00 41.31 C ATOM 32 C HIS A 3 30.199-153.762 50.861 1.00 14.54 C ATOM 33 O HIS A 3 29.237-154.337 51.371 1.00 61.24 O ATOM 34 CB HIS A 3 31.596-155.773 50.326 1.00 23.32 C ATOM 35 CG HIS A 3 31.006-155.842 48.949 1.00 30.41 C ATOM 36 ND1 HIS A 3 29.754-156.358 48.694 1.00 73.03 N ATOM 37 CD2 HIS A 3 31.506-155.467 47.750 1.00 73.32 C ATOM 38 CE1 HIS A 3 29.512-156.298 47.400 1.00 11.32 C ATOM 39 NE2 HIS A 3 30.559-155.761 46.803 1.00 30.43 N ATOM 0 H HIS A 3 31.314-154.459 53.016 1.00 20.45 H new ATOM 0 HA HIS A 3 32.276-153.724 50.379 1.00 41.31 H new ATOM 0 HB2 HIS A 3 32.621-156.142 50.289 1.00 23.32 H new ATOM 0 HB3 HIS A 3 31.040-156.443 50.982 1.00 23.32 H new ATOM 0 HD2 HIS A 3 32.472-155.019 47.571 1.00 73.32 H new ATOM 0 HE1 HIS A 3 28.609-156.632 46.911 1.00 11.32 H new ATOM 0 HE2 HIS A 3 30.649-155.592 45.801 1.00 30.43 H new ATOM 48 N HIS A 4 30.089-152.602 50.221 1.00 51.22 N ATOM 49 CA HIS A 4 28.789-151.991 49.969 1.00 51.34 C ATOM 50 C HIS A 4 28.156-152.638 48.742 1.00 0.14 C ATOM 51 O HIS A 4 28.861-153.200 47.898 1.00 74.33 O ATOM 52 CB HIS A 4 28.921-150.474 49.758 1.00 24.43 C ATOM 53 CG HIS A 4 29.385-149.724 50.973 1.00 72.12 C ATOM 54 ND1 HIS A 4 30.486-148.896 50.971 1.00 51.04 N ATOM 55 CD2 HIS A 4 28.871-149.658 52.225 1.00 71.54 C ATOM 56 CE1 HIS A 4 30.630-148.357 52.166 1.00 1.32 C ATOM 57 NE2 HIS A 4 29.664-148.801 52.945 1.00 72.33 N ATOM 0 H HIS A 4 30.883-152.067 49.868 1.00 51.22 H new ATOM 0 HA HIS A 4 28.153-152.153 50.839 1.00 51.34 H new ATOM 0 HB2 HIS A 4 29.620-150.291 48.942 1.00 24.43 H new ATOM 0 HB3 HIS A 4 27.956-150.076 49.445 1.00 24.43 H new ATOM 0 HD2 HIS A 4 28.000-150.182 52.588 1.00 71.54 H new ATOM 0 HE1 HIS A 4 31.409-147.668 52.457 1.00 1.32 H new ATOM 0 HE2 HIS A 4 29.528-148.548 53.924 1.00 72.33 H new ATOM 66 N HIS A 5 26.834-152.569 48.644 1.00 1.20 N ATOM 67 CA HIS A 5 26.117-153.166 47.520 1.00 3.11 C ATOM 68 C HIS A 5 24.819-152.415 47.248 1.00 72.12 C ATOM 69 O HIS A 5 24.105-152.028 48.176 1.00 25.44 O ATOM 70 CB HIS A 5 25.815-154.647 47.803 1.00 71.20 C ATOM 71 CG HIS A 5 25.044-155.329 46.711 1.00 35.25 C ATOM 72 ND1 HIS A 5 23.684-155.545 46.773 1.00 61.31 N ATOM 73 CD2 HIS A 5 25.451-155.850 45.528 1.00 64.31 C ATOM 74 CE1 HIS A 5 23.289-156.168 45.679 1.00 14.53 C ATOM 75 NE2 HIS A 5 24.341-156.363 44.909 1.00 10.22 N ATOM 0 H HIS A 5 26.235-152.106 49.328 1.00 1.20 H new ATOM 0 HA HIS A 5 26.752-153.096 46.637 1.00 3.11 H new ATOM 0 HB2 HIS A 5 26.755-155.177 47.956 1.00 71.20 H new ATOM 0 HB3 HIS A 5 25.252-154.722 48.733 1.00 71.20 H new ATOM 0 HD2 HIS A 5 26.461-155.859 45.145 1.00 64.31 H new ATOM 0 HE1 HIS A 5 22.276-156.467 45.453 1.00 14.53 H new ATOM 0 HE2 HIS A 5 24.331-156.822 43.998 1.00 10.22 H new ATOM 84 N HIS A 6 24.534-152.193 45.970 1.00 74.41 N ATOM 85 CA HIS A 6 23.267-151.614 45.534 1.00 62.44 C ATOM 86 C HIS A 6 22.728-152.430 44.365 1.00 42.35 C ATOM 87 O HIS A 6 23.461-153.219 43.770 1.00 32.12 O ATOM 88 CB HIS A 6 23.444-150.142 45.127 1.00 4.33 C ATOM 89 CG HIS A 6 23.796-149.240 46.273 1.00 54.12 C ATOM 90 ND1 HIS A 6 24.953-148.486 46.323 1.00 25.22 N ATOM 91 CD2 HIS A 6 23.129-148.972 47.420 1.00 51.05 C ATOM 92 CE1 HIS A 6 24.979-147.798 47.449 1.00 34.00 C ATOM 93 NE2 HIS A 6 23.884-148.073 48.131 1.00 2.42 N ATOM 0 H HIS A 6 25.174-152.409 45.206 1.00 74.41 H new ATOM 0 HA HIS A 6 22.557-151.643 46.361 1.00 62.44 H new ATOM 0 HB2 HIS A 6 24.225-150.075 44.369 1.00 4.33 H new ATOM 0 HB3 HIS A 6 22.522-149.788 44.667 1.00 4.33 H new ATOM 0 HD2 HIS A 6 22.179-149.388 47.720 1.00 51.05 H new ATOM 0 HE1 HIS A 6 25.764-147.124 47.759 1.00 34.00 H new ATOM 0 HE2 HIS A 6 23.638-147.681 49.040 1.00 2.42 H new ATOM 102 N HIS A 7 21.451-152.253 44.047 1.00 3.41 N ATOM 103 CA HIS A 7 20.826-152.999 42.957 1.00 22.42 C ATOM 104 C HIS A 7 21.273-152.461 41.603 1.00 74.24 C ATOM 105 O HIS A 7 21.615-153.228 40.703 1.00 22.25 O ATOM 106 CB HIS A 7 19.296-152.945 43.058 1.00 14.31 C ATOM 107 CG HIS A 7 18.745-153.615 44.279 1.00 52.42 C ATOM 108 ND1 HIS A 7 17.873-153.001 45.150 1.00 2.02 N ATOM 109 CD2 HIS A 7 18.943-154.862 44.766 1.00 55.24 C ATOM 110 CE1 HIS A 7 17.559-153.840 46.119 1.00 30.14 C ATOM 111 NE2 HIS A 7 18.193-154.975 45.907 1.00 45.03 N ATOM 0 H HIS A 7 20.828-151.602 44.526 1.00 3.41 H new ATOM 0 HA HIS A 7 21.145-154.037 43.046 1.00 22.42 H new ATOM 0 HB2 HIS A 7 18.978-151.903 43.053 1.00 14.31 H new ATOM 0 HB3 HIS A 7 18.866-153.414 42.173 1.00 14.31 H new ATOM 0 HD2 HIS A 7 19.574-155.625 44.336 1.00 55.24 H new ATOM 0 HE1 HIS A 7 16.895-153.632 46.945 1.00 30.14 H new ATOM 0 HE2 HIS A 7 18.135-155.805 46.497 1.00 45.03 H new ATOM 120 N HIS A 8 21.282-151.139 41.462 1.00 1.42 N ATOM 121 CA HIS A 8 21.630-150.512 40.189 1.00 40.41 C ATOM 122 C HIS A 8 22.548-149.313 40.408 1.00 31.21 C ATOM 123 O HIS A 8 22.352-148.525 41.336 1.00 1.54 O ATOM 124 CB HIS A 8 20.361-150.075 39.435 1.00 5.14 C ATOM 125 CG HIS A 8 19.629-148.921 40.063 1.00 51.02 C ATOM 126 ND1 HIS A 8 18.766-149.060 41.131 1.00 43.10 N ATOM 127 CD2 HIS A 8 19.636-147.601 39.762 1.00 71.51 C ATOM 128 CE1 HIS A 8 18.277-147.876 41.456 1.00 10.51 C ATOM 129 NE2 HIS A 8 18.789-146.976 40.641 1.00 62.52 N ATOM 0 H HIS A 8 21.054-150.483 42.209 1.00 1.42 H new ATOM 0 HA HIS A 8 22.160-151.249 39.585 1.00 40.41 H new ATOM 0 HB2 HIS A 8 20.635-149.804 38.415 1.00 5.14 H new ATOM 0 HB3 HIS A 8 19.683-150.926 39.367 1.00 5.14 H new ATOM 0 HD2 HIS A 8 20.204-147.128 38.975 1.00 71.51 H new ATOM 0 HE1 HIS A 8 17.577-147.679 42.254 1.00 10.51 H new ATOM 0 HE2 HIS A 8 18.588-145.976 40.661 1.00 62.52 H new ATOM 138 N MET A 9 23.552-149.187 39.551 1.00 32.43 N ATOM 139 CA MET A 9 24.460-148.046 39.568 1.00 63.23 C ATOM 140 C MET A 9 25.029-147.829 38.169 1.00 31.31 C ATOM 141 O MET A 9 25.464-148.779 37.513 1.00 61.42 O ATOM 142 CB MET A 9 25.595-148.240 40.591 1.00 35.41 C ATOM 143 CG MET A 9 26.474-149.460 40.336 1.00 51.11 C ATOM 144 SD MET A 9 27.804-149.622 41.548 1.00 3.44 S ATOM 145 CE MET A 9 28.746-148.130 41.232 1.00 24.31 C ATOM 0 H MET A 9 23.761-149.872 38.824 1.00 32.43 H new ATOM 0 HA MET A 9 23.898-147.163 39.873 1.00 63.23 H new ATOM 0 HB2 MET A 9 26.223-147.349 40.591 1.00 35.41 H new ATOM 0 HB3 MET A 9 25.159-148.323 41.587 1.00 35.41 H new ATOM 0 HG2 MET A 9 25.857-150.358 40.356 1.00 51.11 H new ATOM 0 HG3 MET A 9 26.904-149.391 39.337 1.00 51.11 H new ATOM 0 HE1 MET A 9 29.761-148.254 41.609 1.00 24.31 H new ATOM 0 HE2 MET A 9 28.778-147.941 40.159 1.00 24.31 H new ATOM 0 HE3 MET A 9 28.272-147.287 41.735 1.00 24.31 H new ATOM 155 N GLY A 10 24.996-146.587 37.711 1.00 41.12 N ATOM 156 CA GLY A 10 25.431-146.266 36.364 1.00 0.44 C ATOM 157 C GLY A 10 24.475-145.300 35.698 1.00 11.55 C ATOM 158 O GLY A 10 23.277-145.583 35.594 1.00 74.43 O ATOM 0 H GLY A 10 24.672-145.786 38.254 1.00 41.12 H new ATOM 0 HA2 GLY A 10 26.430-145.831 36.395 1.00 0.44 H new ATOM 0 HA3 GLY A 10 25.500-147.180 35.773 1.00 0.44 H new ATOM 162 N THR A 11 24.994-144.160 35.268 1.00 73.24 N ATOM 163 CA THR A 11 24.188-143.106 34.664 1.00 53.21 C ATOM 164 C THR A 11 24.518-142.954 33.177 1.00 62.12 C ATOM 165 O THR A 11 25.416-143.625 32.660 1.00 32.23 O ATOM 166 CB THR A 11 24.417-141.767 35.406 1.00 24.22 C ATOM 167 OG1 THR A 11 25.821-141.581 35.657 1.00 5.43 O ATOM 168 CG2 THR A 11 23.655-141.732 36.727 1.00 21.21 C ATOM 0 H THR A 11 25.988-143.938 35.327 1.00 73.24 H new ATOM 0 HA THR A 11 23.137-143.383 34.753 1.00 53.21 H new ATOM 0 HB THR A 11 24.046-140.962 34.772 1.00 24.22 H new ATOM 0 HG1 THR A 11 26.244-141.180 34.869 1.00 5.43 H new ATOM 0 HG21 THR A 11 23.835-140.780 37.226 1.00 21.21 H new ATOM 0 HG22 THR A 11 22.588-141.845 36.535 1.00 21.21 H new ATOM 0 HG23 THR A 11 23.997-142.546 37.366 1.00 21.21 H new ATOM 176 N LEU A 12 23.780-142.085 32.487 1.00 73.43 N ATOM 177 CA LEU A 12 23.999-141.853 31.062 1.00 60.44 C ATOM 178 C LEU A 12 24.716-140.526 30.840 1.00 2.34 C ATOM 179 O LEU A 12 24.194-139.464 31.194 1.00 43.41 O ATOM 180 CB LEU A 12 22.661-141.855 30.303 1.00 50.00 C ATOM 181 CG LEU A 12 22.758-141.596 28.784 1.00 32.44 C ATOM 182 CD1 LEU A 12 23.562-142.696 28.092 1.00 40.14 C ATOM 183 CD2 LEU A 12 21.363-141.469 28.167 1.00 54.24 C ATOM 0 H LEU A 12 23.026-141.531 32.893 1.00 73.43 H new ATOM 0 HA LEU A 12 24.623-142.660 30.679 1.00 60.44 H new ATOM 0 HB2 LEU A 12 22.176-142.819 30.459 1.00 50.00 H new ATOM 0 HB3 LEU A 12 22.013-141.097 30.743 1.00 50.00 H new ATOM 0 HG LEU A 12 23.283-140.653 28.634 1.00 32.44 H new ATOM 0 HD11 LEU A 12 23.615-142.490 27.023 1.00 40.14 H new ATOM 0 HD12 LEU A 12 24.570-142.726 28.507 1.00 40.14 H new ATOM 0 HD13 LEU A 12 23.075-143.658 28.252 1.00 40.14 H new ATOM 0 HD21 LEU A 12 21.454-141.287 27.096 1.00 54.24 H new ATOM 0 HD22 LEU A 12 20.807-142.392 28.332 1.00 54.24 H new ATOM 0 HD23 LEU A 12 20.833-140.638 28.633 1.00 54.24 H new ATOM 195 N GLU A 13 25.917-140.586 30.274 1.00 52.03 N ATOM 196 CA GLU A 13 26.639-139.385 29.873 1.00 22.25 C ATOM 197 C GLU A 13 27.345-139.600 28.534 1.00 62.32 C ATOM 198 O GLU A 13 28.515-139.984 28.476 1.00 2.42 O ATOM 199 CB GLU A 13 27.633-138.912 30.955 1.00 51.21 C ATOM 200 CG GLU A 13 28.573-139.985 31.502 1.00 55.21 C ATOM 201 CD GLU A 13 27.892-140.932 32.475 1.00 31.33 C ATOM 202 OE1 GLU A 13 27.302-140.449 33.464 1.00 54.41 O ATOM 203 OE2 GLU A 13 27.964-142.161 32.270 1.00 45.33 O ATOM 0 H GLU A 13 26.412-141.457 30.082 1.00 52.03 H new ATOM 0 HA GLU A 13 25.902-138.591 29.752 1.00 22.25 H new ATOM 0 HB2 GLU A 13 28.235-138.103 30.541 1.00 51.21 H new ATOM 0 HB3 GLU A 13 27.066-138.493 31.786 1.00 51.21 H new ATOM 0 HG2 GLU A 13 28.982-140.559 30.671 1.00 55.21 H new ATOM 0 HG3 GLU A 13 29.414-139.503 32.001 1.00 55.21 H new ATOM 210 N ALA A 14 26.600-139.383 27.458 1.00 75.13 N ATOM 211 CA ALA A 14 27.132-139.449 26.103 1.00 74.41 C ATOM 212 C ALA A 14 26.870-138.122 25.399 1.00 5.34 C ATOM 213 O ALA A 14 25.786-137.898 24.852 1.00 31.41 O ATOM 214 CB ALA A 14 26.512-140.612 25.334 1.00 21.45 C ATOM 0 H ALA A 14 25.607-139.156 27.500 1.00 75.13 H new ATOM 0 HA ALA A 14 28.207-139.624 26.144 1.00 74.41 H new ATOM 0 HB1 ALA A 14 26.924-140.642 24.325 1.00 21.45 H new ATOM 0 HB2 ALA A 14 26.737-141.548 25.846 1.00 21.45 H new ATOM 0 HB3 ALA A 14 25.432-140.478 25.281 1.00 21.45 H new ATOM 220 N GLN A 15 27.846-137.230 25.465 1.00 73.23 N ATOM 221 CA GLN A 15 27.714-135.880 24.921 1.00 10.44 C ATOM 222 C GLN A 15 28.559-135.720 23.661 1.00 33.22 C ATOM 223 O GLN A 15 29.338-136.609 23.308 1.00 53.33 O ATOM 224 CB GLN A 15 28.137-134.856 25.984 1.00 53.15 C ATOM 225 CG GLN A 15 27.295-134.920 27.256 1.00 42.52 C ATOM 226 CD GLN A 15 27.776-133.964 28.333 1.00 12.50 C ATOM 227 OE1 GLN A 15 28.592-134.322 29.182 1.00 73.33 O ATOM 228 NE2 GLN A 15 27.278-132.739 28.303 1.00 64.32 N ATOM 0 H GLN A 15 28.752-137.417 25.895 1.00 73.23 H new ATOM 0 HA GLN A 15 26.672-135.708 24.651 1.00 10.44 H new ATOM 0 HB2 GLN A 15 29.183-135.021 26.241 1.00 53.15 H new ATOM 0 HB3 GLN A 15 28.067-133.854 25.561 1.00 53.15 H new ATOM 0 HG2 GLN A 15 26.258-134.691 27.011 1.00 42.52 H new ATOM 0 HG3 GLN A 15 27.313-135.938 27.646 1.00 42.52 H new ATOM 0 HE21 GLN A 15 26.603-132.480 27.583 1.00 64.32 H new ATOM 0 HE22 GLN A 15 27.569-132.053 29.000 1.00 64.32 H new ATOM 237 N THR A 16 28.408-134.582 22.993 1.00 2.53 N ATOM 238 CA THR A 16 29.115-134.314 21.748 1.00 64.02 C ATOM 239 C THR A 16 29.326-132.806 21.583 1.00 10.20 C ATOM 240 O THR A 16 28.739-132.007 22.319 1.00 24.02 O ATOM 241 CB THR A 16 28.335-134.880 20.531 1.00 64.03 C ATOM 242 OG1 THR A 16 29.121-134.771 19.334 1.00 72.31 O ATOM 243 CG2 THR A 16 27.008-134.149 20.338 1.00 44.12 C ATOM 0 H THR A 16 27.796-133.825 23.297 1.00 2.53 H new ATOM 0 HA THR A 16 30.084-134.811 21.790 1.00 64.02 H new ATOM 0 HB THR A 16 28.128-135.931 20.732 1.00 64.03 H new ATOM 0 HG1 THR A 16 28.616-135.134 18.577 1.00 72.31 H new ATOM 0 HG21 THR A 16 26.484-134.567 19.478 1.00 44.12 H new ATOM 0 HG22 THR A 16 26.394-134.268 21.231 1.00 44.12 H new ATOM 0 HG23 THR A 16 27.198-133.089 20.167 1.00 44.12 H new ATOM 251 N GLN A 17 30.163-132.428 20.622 1.00 71.03 N ATOM 252 CA GLN A 17 30.488-131.022 20.378 1.00 43.41 C ATOM 253 C GLN A 17 31.004-130.833 18.951 1.00 71.34 C ATOM 254 O GLN A 17 31.111-131.798 18.188 1.00 24.31 O ATOM 255 CB GLN A 17 31.546-130.537 21.381 1.00 10.42 C ATOM 256 CG GLN A 17 32.837-131.345 21.345 1.00 13.32 C ATOM 257 CD GLN A 17 33.922-130.744 22.218 1.00 52.11 C ATOM 258 OE1 GLN A 17 34.023-131.053 23.407 1.00 64.41 O ATOM 259 NE2 GLN A 17 34.755-129.899 21.631 1.00 14.45 N ATOM 0 H GLN A 17 30.633-133.080 19.994 1.00 71.03 H new ATOM 0 HA GLN A 17 29.580-130.433 20.506 1.00 43.41 H new ATOM 0 HB2 GLN A 17 31.776-129.491 21.176 1.00 10.42 H new ATOM 0 HB3 GLN A 17 31.128-130.581 22.387 1.00 10.42 H new ATOM 0 HG2 GLN A 17 32.633-132.364 21.674 1.00 13.32 H new ATOM 0 HG3 GLN A 17 33.195-131.407 20.317 1.00 13.32 H new ATOM 0 HE21 GLN A 17 34.637-129.669 20.644 1.00 14.45 H new ATOM 0 HE22 GLN A 17 35.515-129.478 22.165 1.00 14.45 H new ATOM 268 N GLY A 18 31.336-129.591 18.608 1.00 1.13 N ATOM 269 CA GLY A 18 31.866-129.284 17.290 1.00 52.34 C ATOM 270 C GLY A 18 33.088-128.388 17.366 1.00 34.32 C ATOM 271 O GLY A 18 33.421-127.887 18.445 1.00 71.43 O ATOM 0 H GLY A 18 31.246-128.785 19.226 1.00 1.13 H new ATOM 0 HA2 GLY A 18 32.127-130.211 16.779 1.00 52.34 H new ATOM 0 HA3 GLY A 18 31.095-128.797 16.693 1.00 52.34 H new ATOM 275 N PRO A 19 33.784-128.169 16.234 1.00 11.21 N ATOM 276 CA PRO A 19 34.967-127.322 16.173 1.00 44.43 C ATOM 277 C PRO A 19 34.620-125.890 15.752 1.00 61.53 C ATOM 278 O PRO A 19 33.483-125.440 15.921 1.00 33.10 O ATOM 279 CB PRO A 19 35.799-128.031 15.099 1.00 34.13 C ATOM 280 CG PRO A 19 34.793-128.613 14.150 1.00 11.35 C ATOM 281 CD PRO A 19 33.482-128.733 14.906 1.00 74.15 C ATOM 0 HA PRO A 19 35.476-127.209 17.131 1.00 44.43 H new ATOM 0 HB2 PRO A 19 36.464-127.333 14.590 1.00 34.13 H new ATOM 0 HB3 PRO A 19 36.426-128.809 15.535 1.00 34.13 H new ATOM 0 HG2 PRO A 19 34.675-127.975 13.274 1.00 11.35 H new ATOM 0 HG3 PRO A 19 35.121-129.589 13.791 1.00 11.35 H new ATOM 0 HD2 PRO A 19 32.683-128.181 14.410 1.00 74.15 H new ATOM 0 HD3 PRO A 19 33.156-129.771 14.978 1.00 74.15 H new ATOM 289 N GLY A 20 35.601-125.187 15.204 1.00 53.25 N ATOM 290 CA GLY A 20 35.397-123.821 14.750 1.00 63.03 C ATOM 291 C GLY A 20 36.568-123.318 13.926 1.00 10.53 C ATOM 292 O GLY A 20 37.685-123.821 14.062 1.00 74.25 O ATOM 0 H GLY A 20 36.547-125.542 15.063 1.00 53.25 H new ATOM 0 HA2 GLY A 20 34.485-123.768 14.155 1.00 63.03 H new ATOM 0 HA3 GLY A 20 35.253-123.170 15.612 1.00 63.03 H new ATOM 296 N SER A 21 36.314-122.333 13.069 1.00 73.15 N ATOM 297 CA SER A 21 37.347-121.759 12.211 1.00 14.22 C ATOM 298 C SER A 21 36.938-120.355 11.755 1.00 10.43 C ATOM 299 O SER A 21 35.840-119.887 12.074 1.00 10.21 O ATOM 300 CB SER A 21 37.594-122.669 10.998 1.00 12.32 C ATOM 301 OG SER A 21 38.704-122.221 10.233 1.00 22.03 O ATOM 0 H SER A 21 35.393-121.912 12.950 1.00 73.15 H new ATOM 0 HA SER A 21 38.273-121.681 12.780 1.00 14.22 H new ATOM 0 HB2 SER A 21 37.772-123.690 11.337 1.00 12.32 H new ATOM 0 HB3 SER A 21 36.703-122.692 10.371 1.00 12.32 H new ATOM 0 HG SER A 21 38.838-122.820 9.469 1.00 22.03 H new ATOM 307 N MET A 22 37.828-119.687 11.021 1.00 63.14 N ATOM 308 CA MET A 22 37.576-118.335 10.520 1.00 73.31 C ATOM 309 C MET A 22 38.053-118.209 9.071 1.00 20.42 C ATOM 310 O MET A 22 39.254-118.293 8.793 1.00 43.13 O ATOM 311 CB MET A 22 38.282-117.294 11.405 1.00 54.34 C ATOM 312 CG MET A 22 37.777-117.258 12.841 1.00 52.42 C ATOM 313 SD MET A 22 38.687-116.086 13.865 1.00 3.25 S ATOM 314 CE MET A 22 37.870-116.316 15.442 1.00 22.13 C ATOM 0 H MET A 22 38.738-120.064 10.758 1.00 63.14 H new ATOM 0 HA MET A 22 36.503-118.148 10.553 1.00 73.31 H new ATOM 0 HB2 MET A 22 39.352-117.504 11.412 1.00 54.34 H new ATOM 0 HB3 MET A 22 38.153-116.307 10.961 1.00 54.34 H new ATOM 0 HG2 MET A 22 36.720-116.993 12.844 1.00 52.42 H new ATOM 0 HG3 MET A 22 37.858-118.254 13.276 1.00 52.42 H new ATOM 0 HE1 MET A 22 38.321-115.658 16.185 1.00 22.13 H new ATOM 0 HE2 MET A 22 36.811-116.078 15.341 1.00 22.13 H new ATOM 0 HE3 MET A 22 37.980-117.352 15.761 1.00 22.13 H new ATOM 324 N GLN A 23 37.105-118.032 8.154 1.00 42.32 N ATOM 325 CA GLN A 23 37.401-117.902 6.727 1.00 71.32 C ATOM 326 C GLN A 23 36.195-117.325 5.994 1.00 74.11 C ATOM 327 O GLN A 23 35.050-117.641 6.329 1.00 61.22 O ATOM 328 CB GLN A 23 37.789-119.267 6.133 1.00 23.42 C ATOM 329 CG GLN A 23 37.914-119.285 4.610 1.00 73.31 C ATOM 330 CD GLN A 23 38.468-120.602 4.089 1.00 45.10 C ATOM 331 OE1 GLN A 23 37.726-121.554 3.846 1.00 2.12 O ATOM 332 NE2 GLN A 23 39.777-120.662 3.901 1.00 73.02 N ATOM 0 H GLN A 23 36.111-117.975 8.377 1.00 42.32 H new ATOM 0 HA GLN A 23 38.244-117.222 6.604 1.00 71.32 H new ATOM 0 HB2 GLN A 23 38.739-119.580 6.566 1.00 23.42 H new ATOM 0 HB3 GLN A 23 37.044-120.004 6.432 1.00 23.42 H new ATOM 0 HG2 GLN A 23 36.935-119.105 4.166 1.00 73.31 H new ATOM 0 HG3 GLN A 23 38.564-118.470 4.292 1.00 73.31 H new ATOM 0 HE21 GLN A 23 40.360-119.853 4.114 1.00 73.02 H new ATOM 0 HE22 GLN A 23 40.202-121.517 3.544 1.00 73.02 H new ATOM 341 N GLY A 24 36.453-116.474 5.006 1.00 4.42 N ATOM 342 CA GLY A 24 35.378-115.866 4.245 1.00 12.50 C ATOM 343 C GLY A 24 35.887-114.945 3.154 1.00 71.41 C ATOM 344 O GLY A 24 37.035-115.064 2.720 1.00 61.51 O ATOM 0 H GLY A 24 37.391-116.194 4.718 1.00 4.42 H new ATOM 0 HA2 GLY A 24 34.766-116.649 3.798 1.00 12.50 H new ATOM 0 HA3 GLY A 24 34.733-115.303 4.920 1.00 12.50 H new ATOM 348 N SER A 25 35.036-114.023 2.714 1.00 41.01 N ATOM 349 CA SER A 25 35.389-113.082 1.653 1.00 14.24 C ATOM 350 C SER A 25 34.684-111.738 1.868 1.00 14.43 C ATOM 351 O SER A 25 33.772-111.627 2.696 1.00 11.33 O ATOM 352 CB SER A 25 35.029-113.679 0.284 1.00 34.44 C ATOM 353 OG SER A 25 33.701-114.178 0.273 1.00 60.00 O ATOM 0 H SER A 25 34.090-113.906 3.078 1.00 41.01 H new ATOM 0 HA SER A 25 36.464-112.903 1.682 1.00 14.24 H new ATOM 0 HB2 SER A 25 35.140-112.917 -0.488 1.00 34.44 H new ATOM 0 HB3 SER A 25 35.724-114.483 0.041 1.00 34.44 H new ATOM 0 HG SER A 25 33.499-114.550 -0.611 1.00 60.00 H new ATOM 359 N MET A 26 35.121-110.720 1.130 1.00 62.34 N ATOM 360 CA MET A 26 34.560-109.373 1.247 1.00 2.51 C ATOM 361 C MET A 26 33.923-108.936 -0.075 1.00 11.11 C ATOM 362 O MET A 26 34.415-109.290 -1.150 1.00 5.31 O ATOM 363 CB MET A 26 35.653-108.377 1.670 1.00 50.04 C ATOM 364 CG MET A 26 36.833-108.302 0.707 1.00 55.43 C ATOM 365 SD MET A 26 38.101-107.132 1.247 1.00 2.11 S ATOM 366 CE MET A 26 39.338-107.355 -0.031 1.00 34.05 C ATOM 0 H MET A 26 35.867-110.802 0.439 1.00 62.34 H new ATOM 0 HA MET A 26 33.784-109.388 2.012 1.00 2.51 H new ATOM 0 HB2 MET A 26 35.210-107.385 1.763 1.00 50.04 H new ATOM 0 HB3 MET A 26 36.021-108.655 2.658 1.00 50.04 H new ATOM 0 HG2 MET A 26 37.278-109.292 0.606 1.00 55.43 H new ATOM 0 HG3 MET A 26 36.473-108.012 -0.280 1.00 55.43 H new ATOM 0 HE1 MET A 26 40.186-106.698 0.164 1.00 34.05 H new ATOM 0 HE2 MET A 26 39.675-108.391 -0.034 1.00 34.05 H new ATOM 0 HE3 MET A 26 38.906-107.111 -1.002 1.00 34.05 H new ATOM 376 N PRO A 27 32.807-108.183 -0.013 1.00 74.34 N ATOM 377 CA PRO A 27 32.106-107.688 -1.197 1.00 71.44 C ATOM 378 C PRO A 27 32.566-106.286 -1.610 1.00 34.14 C ATOM 379 O PRO A 27 33.483-105.715 -1.008 1.00 11.14 O ATOM 380 CB PRO A 27 30.660-107.665 -0.708 1.00 53.44 C ATOM 381 CG PRO A 27 30.765-107.271 0.731 1.00 33.13 C ATOM 382 CD PRO A 27 32.116-107.759 1.221 1.00 61.22 C ATOM 0 HA PRO A 27 32.279-108.298 -2.084 1.00 71.44 H new ATOM 0 HB2 PRO A 27 30.060-106.952 -1.273 1.00 53.44 H new ATOM 0 HB3 PRO A 27 30.186-108.640 -0.820 1.00 53.44 H new ATOM 0 HG2 PRO A 27 30.680-106.190 0.843 1.00 33.13 H new ATOM 0 HG3 PRO A 27 29.958-107.716 1.314 1.00 33.13 H new ATOM 0 HD2 PRO A 27 32.664-106.969 1.735 1.00 61.22 H new ATOM 0 HD3 PRO A 27 32.012-108.585 1.925 1.00 61.22 H new ATOM 390 N SER A 28 31.916-105.733 -2.628 1.00 3.22 N ATOM 391 CA SER A 28 32.233-104.398 -3.117 1.00 34.34 C ATOM 392 C SER A 28 31.014-103.785 -3.807 1.00 61.20 C ATOM 393 O SER A 28 29.933-104.385 -3.837 1.00 25.04 O ATOM 394 CB SER A 28 33.429-104.459 -4.083 1.00 12.32 C ATOM 395 OG SER A 28 33.822-103.163 -4.509 1.00 70.24 O ATOM 0 H SER A 28 31.160-106.194 -3.134 1.00 3.22 H new ATOM 0 HA SER A 28 32.503-103.766 -2.271 1.00 34.34 H new ATOM 0 HB2 SER A 28 34.269-104.952 -3.593 1.00 12.32 H new ATOM 0 HB3 SER A 28 33.166-105.064 -4.951 1.00 12.32 H new ATOM 0 HG SER A 28 34.585-103.237 -5.120 1.00 70.24 H new ATOM 401 N SER A 29 31.195-102.588 -4.353 1.00 60.23 N ATOM 402 CA SER A 29 30.141-101.892 -5.074 1.00 32.34 C ATOM 403 C SER A 29 30.757-100.924 -6.081 1.00 73.11 C ATOM 404 O SER A 29 31.975-100.727 -6.102 1.00 31.03 O ATOM 405 CB SER A 29 29.218-101.139 -4.102 1.00 33.44 C ATOM 406 OG SER A 29 28.174-100.472 -4.798 1.00 52.53 O ATOM 0 H SER A 29 32.076-102.075 -4.307 1.00 60.23 H new ATOM 0 HA SER A 29 29.539-102.628 -5.608 1.00 32.34 H new ATOM 0 HB2 SER A 29 28.791-101.840 -3.385 1.00 33.44 H new ATOM 0 HB3 SER A 29 29.799-100.415 -3.532 1.00 33.44 H new ATOM 0 HG SER A 29 27.309-100.727 -4.414 1.00 52.53 H new ATOM 412 N SER A 30 29.913-100.338 -6.914 1.00 64.34 N ATOM 413 CA SER A 30 30.347 -99.393 -7.937 1.00 21.24 C ATOM 414 C SER A 30 29.237 -98.385 -8.220 1.00 2.22 C ATOM 415 O SER A 30 29.208 -97.737 -9.271 1.00 33.13 O ATOM 416 CB SER A 30 30.733-100.160 -9.208 1.00 51.34 C ATOM 417 OG SER A 30 29.775-101.166 -9.504 1.00 75.40 O ATOM 0 H SER A 30 28.906-100.502 -6.902 1.00 64.34 H new ATOM 0 HA SER A 30 31.220 -98.843 -7.584 1.00 21.24 H new ATOM 0 HB2 SER A 30 30.810 -99.467 -10.046 1.00 51.34 H new ATOM 0 HB3 SER A 30 31.715-100.614 -9.079 1.00 51.34 H new ATOM 0 HG SER A 30 30.041-101.641 -10.319 1.00 75.40 H new ATOM 423 N GLU A 31 28.343 -98.234 -7.244 1.00 40.24 N ATOM 424 CA GLU A 31 27.159 -97.383 -7.374 1.00 62.35 C ATOM 425 C GLU A 31 27.501 -95.906 -7.155 1.00 41.11 C ATOM 426 O GLU A 31 26.843 -95.217 -6.373 1.00 60.14 O ATOM 427 CB GLU A 31 26.103 -97.833 -6.358 1.00 12.31 C ATOM 428 CG GLU A 31 25.668 -99.282 -6.528 1.00 22.01 C ATOM 429 CD GLU A 31 24.792 -99.767 -5.386 1.00 14.11 C ATOM 430 OE1 GLU A 31 23.586 -99.435 -5.369 1.00 62.50 O ATOM 431 OE2 GLU A 31 25.303-100.490 -4.503 1.00 55.42 O ATOM 0 H GLU A 31 28.418 -98.699 -6.339 1.00 40.24 H new ATOM 0 HA GLU A 31 26.770 -97.484 -8.387 1.00 62.35 H new ATOM 0 HB2 GLU A 31 26.499 -97.698 -5.352 1.00 12.31 H new ATOM 0 HB3 GLU A 31 25.229 -97.188 -6.446 1.00 12.31 H new ATOM 0 HG2 GLU A 31 25.125 -99.387 -7.467 1.00 22.01 H new ATOM 0 HG3 GLU A 31 26.551 -99.917 -6.598 1.00 22.01 H new ATOM 438 N ASP A 32 28.524 -95.426 -7.857 1.00 41.14 N ATOM 439 CA ASP A 32 28.939 -94.024 -7.770 1.00 53.41 C ATOM 440 C ASP A 32 27.901 -93.115 -8.423 1.00 74.21 C ATOM 441 O ASP A 32 27.827 -91.919 -8.130 1.00 0.32 O ATOM 442 CB ASP A 32 30.308 -93.821 -8.437 1.00 20.24 C ATOM 443 CG ASP A 32 31.428 -94.551 -7.712 1.00 71.33 C ATOM 444 OD1 ASP A 32 31.465 -95.801 -7.765 1.00 22.21 O ATOM 445 OD2 ASP A 32 32.271 -93.885 -7.072 1.00 71.55 O ATOM 0 H ASP A 32 29.085 -95.989 -8.496 1.00 41.14 H new ATOM 0 HA ASP A 32 29.022 -93.761 -6.715 1.00 53.41 H new ATOM 0 HB2 ASP A 32 30.260 -94.170 -9.468 1.00 20.24 H new ATOM 0 HB3 ASP A 32 30.537 -92.756 -8.471 1.00 20.24 H new ATOM 450 N VAL A 33 27.100 -93.688 -9.310 1.00 64.33 N ATOM 451 CA VAL A 33 26.038 -92.947 -9.973 1.00 3.41 C ATOM 452 C VAL A 33 24.760 -93.006 -9.145 1.00 52.31 C ATOM 453 O VAL A 33 24.084 -94.039 -9.086 1.00 55.05 O ATOM 454 CB VAL A 33 25.746 -93.494 -11.384 1.00 32.24 C ATOM 455 CG1 VAL A 33 24.717 -92.621 -12.106 1.00 21.34 C ATOM 456 CG2 VAL A 33 27.033 -93.615 -12.199 1.00 54.35 C ATOM 0 H VAL A 33 27.166 -94.667 -9.587 1.00 64.33 H new ATOM 0 HA VAL A 33 26.378 -91.916 -10.068 1.00 3.41 H new ATOM 0 HB VAL A 33 25.322 -94.493 -11.278 1.00 32.24 H new ATOM 0 HG11 VAL A 33 24.528 -93.028 -13.099 1.00 21.34 H new ATOM 0 HG12 VAL A 33 23.788 -92.607 -11.536 1.00 21.34 H new ATOM 0 HG13 VAL A 33 25.102 -91.605 -12.197 1.00 21.34 H new ATOM 0 HG21 VAL A 33 26.801 -94.003 -13.191 1.00 54.35 H new ATOM 0 HG22 VAL A 33 27.498 -92.634 -12.293 1.00 54.35 H new ATOM 0 HG23 VAL A 33 27.720 -94.295 -11.695 1.00 54.35 H new ATOM 466 N THR A 34 24.453 -91.902 -8.495 1.00 32.15 N ATOM 467 CA THR A 34 23.231 -91.768 -7.718 1.00 71.11 C ATOM 468 C THR A 34 22.066 -91.416 -8.647 1.00 2.24 C ATOM 469 O THR A 34 22.266 -90.808 -9.701 1.00 60.35 O ATOM 470 CB THR A 34 23.395 -90.672 -6.635 1.00 3.00 C ATOM 471 OG1 THR A 34 24.572 -90.934 -5.857 1.00 50.55 O ATOM 472 CG2 THR A 34 22.183 -90.606 -5.709 1.00 1.10 C ATOM 0 H THR A 34 25.042 -91.070 -8.489 1.00 32.15 H new ATOM 0 HA THR A 34 23.023 -92.716 -7.222 1.00 71.11 H new ATOM 0 HB THR A 34 23.485 -89.713 -7.145 1.00 3.00 H new ATOM 0 HG1 THR A 34 24.312 -91.210 -4.953 1.00 50.55 H new ATOM 0 HG21 THR A 34 22.337 -89.826 -4.964 1.00 1.10 H new ATOM 0 HG22 THR A 34 21.291 -90.380 -6.293 1.00 1.10 H new ATOM 0 HG23 THR A 34 22.055 -91.566 -5.208 1.00 1.10 H new ATOM 480 N THR A 35 20.858 -91.823 -8.273 1.00 71.32 N ATOM 481 CA THR A 35 19.663 -91.511 -9.048 1.00 44.34 C ATOM 482 C THR A 35 18.493 -91.216 -8.120 1.00 64.43 C ATOM 483 O THR A 35 18.214 -91.982 -7.199 1.00 74.11 O ATOM 484 CB THR A 35 19.294 -92.671 -10.003 1.00 51.43 C ATOM 485 OG1 THR A 35 20.361 -92.880 -10.941 1.00 13.30 O ATOM 486 CG2 THR A 35 17.995 -92.390 -10.758 1.00 62.32 C ATOM 0 H THR A 35 20.680 -92.373 -7.433 1.00 71.32 H new ATOM 0 HA THR A 35 19.878 -90.628 -9.649 1.00 44.34 H new ATOM 0 HB THR A 35 19.144 -93.567 -9.401 1.00 51.43 H new ATOM 0 HG1 THR A 35 20.810 -93.728 -10.742 1.00 13.30 H new ATOM 0 HG21 THR A 35 17.770 -93.227 -11.418 1.00 62.32 H new ATOM 0 HG22 THR A 35 17.181 -92.260 -10.045 1.00 62.32 H new ATOM 0 HG23 THR A 35 18.107 -91.481 -11.350 1.00 62.32 H new ATOM 494 N LEU A 36 17.842 -90.082 -8.352 1.00 13.40 N ATOM 495 CA LEU A 36 16.667 -89.673 -7.589 1.00 32.23 C ATOM 496 C LEU A 36 15.644 -89.049 -8.530 1.00 30.20 C ATOM 497 O LEU A 36 16.004 -88.272 -9.417 1.00 35.32 O ATOM 498 CB LEU A 36 17.049 -88.663 -6.491 1.00 70.33 C ATOM 499 CG LEU A 36 17.950 -89.206 -5.365 1.00 3.23 C ATOM 500 CD1 LEU A 36 18.333 -88.091 -4.394 1.00 10.31 C ATOM 501 CD2 LEU A 36 17.255 -90.347 -4.620 1.00 4.14 C ATOM 0 H LEU A 36 18.114 -89.418 -9.077 1.00 13.40 H new ATOM 0 HA LEU A 36 16.239 -90.553 -7.110 1.00 32.23 H new ATOM 0 HB2 LEU A 36 17.555 -87.819 -6.960 1.00 70.33 H new ATOM 0 HB3 LEU A 36 16.133 -88.277 -6.044 1.00 70.33 H new ATOM 0 HG LEU A 36 18.862 -89.595 -5.818 1.00 3.23 H new ATOM 0 HD11 LEU A 36 18.969 -88.496 -3.607 1.00 10.31 H new ATOM 0 HD12 LEU A 36 18.872 -87.311 -4.931 1.00 10.31 H new ATOM 0 HD13 LEU A 36 17.431 -87.669 -3.950 1.00 10.31 H new ATOM 0 HD21 LEU A 36 17.908 -90.716 -3.829 1.00 4.14 H new ATOM 0 HD22 LEU A 36 16.325 -89.983 -4.183 1.00 4.14 H new ATOM 0 HD23 LEU A 36 17.036 -91.156 -5.317 1.00 4.14 H new ATOM 513 N CYS A 37 14.377 -89.400 -8.352 1.00 71.23 N ATOM 514 CA CYS A 37 13.308 -88.819 -9.157 1.00 40.31 C ATOM 515 C CYS A 37 12.815 -87.530 -8.512 1.00 32.44 C ATOM 516 O CYS A 37 12.614 -87.473 -7.300 1.00 34.41 O ATOM 517 CB CYS A 37 12.151 -89.806 -9.324 1.00 1.21 C ATOM 518 SG CYS A 37 12.620 -91.349 -10.134 1.00 21.43 S ATOM 0 H CYS A 37 14.064 -90.081 -7.660 1.00 71.23 H new ATOM 0 HA CYS A 37 13.705 -88.594 -10.147 1.00 40.31 H new ATOM 0 HB2 CYS A 37 11.736 -90.034 -8.342 1.00 1.21 H new ATOM 0 HB3 CYS A 37 11.360 -89.329 -9.902 1.00 1.21 H new ATOM 0 HG CYS A 37 11.580 -92.122 -10.230 1.00 21.43 H new ATOM 524 N TYR A 38 12.638 -86.502 -9.327 1.00 44.52 N ATOM 525 CA TYR A 38 12.215 -85.193 -8.852 1.00 13.14 C ATOM 526 C TYR A 38 10.808 -84.887 -9.344 1.00 33.50 C ATOM 527 O TYR A 38 10.436 -85.262 -10.455 1.00 34.40 O ATOM 528 CB TYR A 38 13.179 -84.110 -9.359 1.00 2.52 C ATOM 529 CG TYR A 38 14.537 -84.107 -8.679 1.00 51.01 C ATOM 530 CD1 TYR A 38 15.307 -85.263 -8.591 1.00 5.21 C ATOM 531 CD2 TYR A 38 15.047 -82.943 -8.122 1.00 74.21 C ATOM 532 CE1 TYR A 38 16.539 -85.254 -7.968 1.00 42.41 C ATOM 533 CE2 TYR A 38 16.277 -82.928 -7.501 1.00 41.03 C ATOM 534 CZ TYR A 38 17.018 -84.084 -7.426 1.00 0.42 C ATOM 535 OH TYR A 38 18.242 -84.066 -6.806 1.00 72.24 O ATOM 0 H TYR A 38 12.783 -86.551 -10.335 1.00 44.52 H new ATOM 0 HA TYR A 38 12.222 -85.201 -7.762 1.00 13.14 H new ATOM 0 HB2 TYR A 38 13.324 -84.243 -10.431 1.00 2.52 H new ATOM 0 HB3 TYR A 38 12.715 -83.134 -9.219 1.00 2.52 H new ATOM 0 HD1 TYR A 38 14.934 -86.183 -9.017 1.00 5.21 H new ATOM 0 HD2 TYR A 38 14.469 -82.032 -8.176 1.00 74.21 H new ATOM 0 HE1 TYR A 38 17.123 -86.160 -7.907 1.00 42.41 H new ATOM 0 HE2 TYR A 38 16.658 -82.012 -7.075 1.00 41.03 H new ATOM 0 HH TYR A 38 18.798 -83.362 -7.200 1.00 72.24 H new ATOM 545 N ARG A 39 10.028 -84.225 -8.504 1.00 41.31 N ATOM 546 CA ARG A 39 8.723 -83.727 -8.902 1.00 13.40 C ATOM 547 C ARG A 39 8.337 -82.529 -8.045 1.00 14.02 C ATOM 548 O ARG A 39 8.086 -82.659 -6.847 1.00 25.40 O ATOM 549 CB ARG A 39 7.651 -84.820 -8.797 1.00 74.33 C ATOM 550 CG ARG A 39 6.272 -84.349 -9.250 1.00 12.21 C ATOM 551 CD ARG A 39 5.250 -85.478 -9.277 1.00 54.31 C ATOM 552 NE ARG A 39 3.955 -85.002 -9.766 1.00 25.32 N ATOM 553 CZ ARG A 39 3.200 -85.640 -10.663 1.00 14.22 C ATOM 554 NH1 ARG A 39 3.577 -86.814 -11.156 1.00 32.13 N ATOM 555 NH2 ARG A 39 2.063 -85.090 -11.061 1.00 64.21 N ATOM 0 H ARG A 39 10.279 -84.020 -7.537 1.00 41.31 H new ATOM 0 HA ARG A 39 8.785 -83.418 -9.945 1.00 13.40 H new ATOM 0 HB2 ARG A 39 7.953 -85.676 -9.400 1.00 74.33 H new ATOM 0 HB3 ARG A 39 7.590 -85.164 -7.764 1.00 74.33 H new ATOM 0 HG2 ARG A 39 5.922 -83.563 -8.581 1.00 12.21 H new ATOM 0 HG3 ARG A 39 6.350 -83.910 -10.245 1.00 12.21 H new ATOM 0 HD2 ARG A 39 5.610 -86.284 -9.916 1.00 54.31 H new ATOM 0 HD3 ARG A 39 5.134 -85.893 -8.276 1.00 54.31 H new ATOM 0 HE ARG A 39 3.604 -84.119 -9.395 1.00 25.32 H new ATOM 0 HH11 ARG A 39 4.452 -87.238 -10.850 1.00 32.13 H new ATOM 0 HH12 ARG A 39 2.991 -87.291 -11.841 1.00 32.13 H new ATOM 0 HH21 ARG A 39 1.773 -84.188 -10.683 1.00 64.21 H new ATOM 0 HH22 ARG A 39 1.478 -85.568 -11.746 1.00 64.21 H new ATOM 569 N VAL A 40 8.305 -81.362 -8.662 1.00 72.34 N ATOM 570 CA VAL A 40 7.911 -80.140 -7.978 1.00 72.44 C ATOM 571 C VAL A 40 6.582 -79.655 -8.533 1.00 70.43 C ATOM 572 O VAL A 40 6.297 -79.824 -9.715 1.00 61.43 O ATOM 573 CB VAL A 40 8.979 -79.024 -8.123 1.00 33.24 C ATOM 574 CG1 VAL A 40 9.086 -78.551 -9.571 1.00 32.30 C ATOM 575 CG2 VAL A 40 8.682 -77.854 -7.184 1.00 22.25 C ATOM 0 H VAL A 40 8.549 -81.233 -9.644 1.00 72.34 H new ATOM 0 HA VAL A 40 7.814 -80.367 -6.916 1.00 72.44 H new ATOM 0 HB VAL A 40 9.943 -79.446 -7.837 1.00 33.24 H new ATOM 0 HG11 VAL A 40 9.842 -77.769 -9.643 1.00 32.30 H new ATOM 0 HG12 VAL A 40 9.369 -79.389 -10.208 1.00 32.30 H new ATOM 0 HG13 VAL A 40 8.124 -78.157 -9.897 1.00 32.30 H new ATOM 0 HG21 VAL A 40 9.446 -77.086 -7.306 1.00 22.25 H new ATOM 0 HG22 VAL A 40 7.705 -77.435 -7.423 1.00 22.25 H new ATOM 0 HG23 VAL A 40 8.683 -78.206 -6.152 1.00 22.25 H new ATOM 585 N THR A 41 5.768 -79.071 -7.680 1.00 2.24 N ATOM 586 CA THR A 41 4.481 -78.533 -8.089 1.00 62.42 C ATOM 587 C THR A 41 4.594 -77.023 -8.278 1.00 74.20 C ATOM 588 O THR A 41 5.191 -76.338 -7.448 1.00 2.33 O ATOM 589 CB THR A 41 3.384 -78.878 -7.053 1.00 55.34 C ATOM 590 OG1 THR A 41 3.884 -78.678 -5.720 1.00 61.12 O ATOM 591 CG2 THR A 41 2.919 -80.323 -7.206 1.00 64.10 C ATOM 0 H THR A 41 5.975 -78.954 -6.688 1.00 2.24 H new ATOM 0 HA THR A 41 4.194 -78.988 -9.037 1.00 62.42 H new ATOM 0 HB THR A 41 2.535 -78.217 -7.231 1.00 55.34 H new ATOM 0 HG1 THR A 41 3.183 -78.897 -5.071 1.00 61.12 H new ATOM 0 HG21 THR A 41 2.148 -80.538 -6.466 1.00 64.10 H new ATOM 0 HG22 THR A 41 2.512 -80.470 -8.206 1.00 64.10 H new ATOM 0 HG23 THR A 41 3.764 -80.995 -7.055 1.00 64.10 H new ATOM 599 N GLY A 42 4.051 -76.513 -9.377 1.00 41.40 N ATOM 600 CA GLY A 42 4.188 -75.101 -9.694 1.00 24.42 C ATOM 601 C GLY A 42 2.946 -74.304 -9.355 1.00 40.24 C ATOM 602 O GLY A 42 1.832 -74.823 -9.416 1.00 32.35 O ATOM 0 H GLY A 42 3.516 -77.053 -10.057 1.00 41.40 H new ATOM 0 HA2 GLY A 42 5.038 -74.691 -9.149 1.00 24.42 H new ATOM 0 HA3 GLY A 42 4.407 -74.991 -10.756 1.00 24.42 H new ATOM 606 N LYS A 43 3.142 -73.043 -8.978 1.00 4.30 N ATOM 607 CA LYS A 43 2.027 -72.131 -8.734 1.00 54.14 C ATOM 608 C LYS A 43 1.508 -71.561 -10.054 1.00 34.03 C ATOM 609 O LYS A 43 0.308 -71.337 -10.218 1.00 15.12 O ATOM 610 CB LYS A 43 2.455 -70.993 -7.794 1.00 24.05 C ATOM 611 CG LYS A 43 2.709 -71.435 -6.354 1.00 42.10 C ATOM 612 CD LYS A 43 1.446 -71.967 -5.680 1.00 4.43 C ATOM 613 CE LYS A 43 0.351 -70.906 -5.592 1.00 3.20 C ATOM 614 NZ LYS A 43 0.796 -69.702 -4.841 1.00 10.25 N ATOM 0 H LYS A 43 4.063 -72.629 -8.835 1.00 4.30 H new ATOM 0 HA LYS A 43 1.224 -72.691 -8.255 1.00 54.14 H new ATOM 0 HB2 LYS A 43 3.362 -70.533 -8.187 1.00 24.05 H new ATOM 0 HB3 LYS A 43 1.682 -70.225 -7.796 1.00 24.05 H new ATOM 0 HG2 LYS A 43 3.477 -72.208 -6.344 1.00 42.10 H new ATOM 0 HG3 LYS A 43 3.097 -70.593 -5.781 1.00 42.10 H new ATOM 0 HD2 LYS A 43 1.073 -72.827 -6.237 1.00 4.43 H new ATOM 0 HD3 LYS A 43 1.691 -72.318 -4.678 1.00 4.43 H new ATOM 0 HE2 LYS A 43 0.049 -70.614 -6.598 1.00 3.20 H new ATOM 0 HE3 LYS A 43 -0.527 -71.332 -5.106 1.00 3.20 H new ATOM 0 HZ1 LYS A 43 -0.021 -69.085 -4.659 1.00 10.25 H new ATOM 0 HZ2 LYS A 43 1.218 -69.994 -3.936 1.00 10.25 H new ATOM 0 HZ3 LYS A 43 1.503 -69.185 -5.402 1.00 10.25 H new ATOM 628 N VAL A 44 2.423 -71.334 -10.995 1.00 15.21 N ATOM 629 CA VAL A 44 2.068 -70.803 -12.308 1.00 11.51 C ATOM 630 C VAL A 44 2.051 -71.931 -13.341 1.00 43.13 C ATOM 631 O VAL A 44 3.000 -72.102 -14.113 1.00 73.31 O ATOM 632 CB VAL A 44 3.043 -69.680 -12.758 1.00 65.30 C ATOM 633 CG1 VAL A 44 2.551 -69.014 -14.045 1.00 4.45 C ATOM 634 CG2 VAL A 44 3.230 -68.647 -11.644 1.00 65.34 C ATOM 0 H VAL A 44 3.420 -71.511 -10.871 1.00 15.21 H new ATOM 0 HA VAL A 44 1.073 -70.365 -12.232 1.00 11.51 H new ATOM 0 HB VAL A 44 4.012 -70.134 -12.965 1.00 65.30 H new ATOM 0 HG11 VAL A 44 3.250 -68.231 -14.340 1.00 4.45 H new ATOM 0 HG12 VAL A 44 2.485 -69.759 -14.838 1.00 4.45 H new ATOM 0 HG13 VAL A 44 1.567 -68.577 -13.875 1.00 4.45 H new ATOM 0 HG21 VAL A 44 3.916 -67.870 -11.980 1.00 65.34 H new ATOM 0 HG22 VAL A 44 2.267 -68.199 -11.398 1.00 65.34 H new ATOM 0 HG23 VAL A 44 3.640 -69.135 -10.760 1.00 65.34 H new ATOM 644 N GLN A 45 0.973 -72.715 -13.308 1.00 50.12 N ATOM 645 CA GLN A 45 0.764 -73.845 -14.213 1.00 32.13 C ATOM 646 C GLN A 45 1.939 -74.828 -14.171 1.00 53.04 C ATOM 647 O GLN A 45 1.883 -75.839 -13.474 1.00 31.24 O ATOM 648 CB GLN A 45 0.511 -73.355 -15.648 1.00 23.21 C ATOM 649 CG GLN A 45 0.217 -74.478 -16.638 1.00 74.44 C ATOM 650 CD GLN A 45 -0.181 -73.961 -18.009 1.00 75.11 C ATOM 651 OE1 GLN A 45 0.666 -73.738 -18.873 1.00 53.52 O ATOM 652 NE2 GLN A 45 -1.473 -73.769 -18.217 1.00 75.34 N ATOM 0 H GLN A 45 0.211 -72.581 -12.643 1.00 50.12 H new ATOM 0 HA GLN A 45 -0.122 -74.380 -13.871 1.00 32.13 H new ATOM 0 HB2 GLN A 45 -0.328 -72.659 -15.642 1.00 23.21 H new ATOM 0 HB3 GLN A 45 1.383 -72.799 -15.992 1.00 23.21 H new ATOM 0 HG2 GLN A 45 1.099 -75.111 -16.735 1.00 74.44 H new ATOM 0 HG3 GLN A 45 -0.583 -75.104 -16.244 1.00 74.44 H new ATOM 0 HE21 GLN A 45 -2.144 -73.966 -17.474 1.00 75.34 H new ATOM 0 HE22 GLN A 45 -1.798 -73.424 -19.120 1.00 75.34 H new ATOM 661 N GLY A 46 3.001 -74.520 -14.909 1.00 33.40 N ATOM 662 CA GLY A 46 4.162 -75.388 -14.951 1.00 5.31 C ATOM 663 C GLY A 46 5.304 -74.774 -15.732 1.00 42.35 C ATOM 664 O GLY A 46 6.103 -75.487 -16.342 1.00 52.52 O ATOM 0 H GLY A 46 3.077 -73.679 -15.482 1.00 33.40 H new ATOM 0 HA2 GLY A 46 4.492 -75.601 -13.934 1.00 5.31 H new ATOM 0 HA3 GLY A 46 3.886 -76.341 -15.402 1.00 5.31 H new ATOM 668 N VAL A 47 5.382 -73.446 -15.718 1.00 50.43 N ATOM 669 CA VAL A 47 6.435 -72.737 -16.436 1.00 62.01 C ATOM 670 C VAL A 47 7.730 -72.740 -15.615 1.00 63.33 C ATOM 671 O VAL A 47 7.933 -71.912 -14.720 1.00 24.14 O ATOM 672 CB VAL A 47 6.010 -71.288 -16.812 1.00 61.21 C ATOM 673 CG1 VAL A 47 5.589 -70.484 -15.582 1.00 73.20 C ATOM 674 CG2 VAL A 47 7.130 -70.579 -17.574 1.00 13.12 C ATOM 0 H VAL A 47 4.730 -72.841 -15.218 1.00 50.43 H new ATOM 0 HA VAL A 47 6.614 -73.265 -17.373 1.00 62.01 H new ATOM 0 HB VAL A 47 5.140 -71.358 -17.465 1.00 61.21 H new ATOM 0 HG11 VAL A 47 5.300 -69.478 -15.886 1.00 73.20 H new ATOM 0 HG12 VAL A 47 4.744 -70.974 -15.099 1.00 73.20 H new ATOM 0 HG13 VAL A 47 6.423 -70.426 -14.883 1.00 73.20 H new ATOM 0 HG21 VAL A 47 6.814 -69.567 -17.828 1.00 13.12 H new ATOM 0 HG22 VAL A 47 8.023 -70.534 -16.950 1.00 13.12 H new ATOM 0 HG23 VAL A 47 7.353 -71.129 -18.488 1.00 13.12 H new ATOM 684 N PHE A 48 8.585 -73.714 -15.901 1.00 44.21 N ATOM 685 CA PHE A 48 9.842 -73.879 -15.179 1.00 43.23 C ATOM 686 C PHE A 48 10.976 -73.221 -15.968 1.00 63.04 C ATOM 687 O PHE A 48 11.083 -73.403 -17.186 1.00 45.54 O ATOM 688 CB PHE A 48 10.113 -75.375 -14.960 1.00 61.12 C ATOM 689 CG PHE A 48 11.033 -75.689 -13.807 1.00 53.24 C ATOM 690 CD1 PHE A 48 10.648 -75.410 -12.502 1.00 42.11 C ATOM 691 CD2 PHE A 48 12.270 -76.280 -14.022 1.00 54.45 C ATOM 692 CE1 PHE A 48 11.478 -75.709 -11.440 1.00 23.41 C ATOM 693 CE2 PHE A 48 13.101 -76.583 -12.962 1.00 23.53 C ATOM 694 CZ PHE A 48 12.705 -76.298 -11.670 1.00 52.33 C ATOM 0 H PHE A 48 8.430 -74.407 -16.633 1.00 44.21 H new ATOM 0 HA PHE A 48 9.779 -73.395 -14.204 1.00 43.23 H new ATOM 0 HB2 PHE A 48 9.162 -75.882 -14.796 1.00 61.12 H new ATOM 0 HB3 PHE A 48 10.542 -75.789 -15.872 1.00 61.12 H new ATOM 0 HD1 PHE A 48 9.687 -74.953 -12.316 1.00 42.11 H new ATOM 0 HD2 PHE A 48 12.586 -76.505 -15.030 1.00 54.45 H new ATOM 0 HE1 PHE A 48 11.168 -75.482 -10.431 1.00 23.41 H new ATOM 0 HE2 PHE A 48 14.061 -77.043 -13.143 1.00 23.53 H new ATOM 0 HZ PHE A 48 13.355 -76.536 -10.841 1.00 52.33 H new ATOM 704 N PHE A 49 11.799 -72.440 -15.273 1.00 15.34 N ATOM 705 CA PHE A 49 12.884 -71.680 -15.902 1.00 4.40 C ATOM 706 C PHE A 49 13.931 -72.585 -16.571 1.00 62.32 C ATOM 707 O PHE A 49 14.978 -72.898 -15.988 1.00 1.00 O ATOM 708 CB PHE A 49 13.541 -70.710 -14.893 1.00 33.40 C ATOM 709 CG PHE A 49 13.992 -71.305 -13.565 1.00 61.25 C ATOM 710 CD1 PHE A 49 13.678 -72.606 -13.192 1.00 61.52 C ATOM 711 CD2 PHE A 49 14.732 -70.531 -12.678 1.00 2.54 C ATOM 712 CE1 PHE A 49 14.092 -73.116 -11.976 1.00 52.45 C ATOM 713 CE2 PHE A 49 15.146 -71.040 -11.462 1.00 70.11 C ATOM 714 CZ PHE A 49 14.824 -72.333 -11.110 1.00 63.23 C ATOM 0 H PHE A 49 11.736 -72.314 -14.263 1.00 15.34 H new ATOM 0 HA PHE A 49 12.433 -71.089 -16.699 1.00 4.40 H new ATOM 0 HB2 PHE A 49 14.407 -70.255 -15.373 1.00 33.40 H new ATOM 0 HB3 PHE A 49 12.834 -69.907 -14.683 1.00 33.40 H new ATOM 0 HD1 PHE A 49 13.102 -73.228 -13.862 1.00 61.52 H new ATOM 0 HD2 PHE A 49 14.987 -69.516 -12.944 1.00 2.54 H new ATOM 0 HE1 PHE A 49 13.841 -74.131 -11.704 1.00 52.45 H new ATOM 0 HE2 PHE A 49 15.722 -70.424 -10.787 1.00 70.11 H new ATOM 0 HZ PHE A 49 15.144 -72.731 -10.159 1.00 63.23 H new ATOM 724 N ARG A 50 13.635 -72.979 -17.813 1.00 20.24 N ATOM 725 CA ARG A 50 14.520 -73.837 -18.609 1.00 11.11 C ATOM 726 C ARG A 50 15.953 -73.311 -18.629 1.00 62.02 C ATOM 727 O ARG A 50 16.899 -74.086 -18.553 1.00 13.04 O ATOM 728 CB ARG A 50 14.023 -73.951 -20.057 1.00 4.24 C ATOM 729 CG ARG A 50 12.663 -74.626 -20.228 1.00 63.42 C ATOM 730 CD ARG A 50 12.339 -74.809 -21.708 1.00 31.41 C ATOM 731 NE ARG A 50 11.039 -75.442 -21.939 1.00 52.04 N ATOM 732 CZ ARG A 50 10.696 -76.032 -23.088 1.00 22.45 C ATOM 733 NH1 ARG A 50 11.538 -76.035 -24.112 1.00 12.14 N ATOM 734 NH2 ARG A 50 9.505 -76.597 -23.225 1.00 70.43 N ATOM 0 H ARG A 50 12.776 -72.713 -18.295 1.00 20.24 H new ATOM 0 HA ARG A 50 14.506 -74.818 -18.134 1.00 11.11 H new ATOM 0 HB2 ARG A 50 13.970 -72.950 -20.486 1.00 4.24 H new ATOM 0 HB3 ARG A 50 14.762 -74.507 -20.635 1.00 4.24 H new ATOM 0 HG2 ARG A 50 12.666 -75.595 -19.728 1.00 63.42 H new ATOM 0 HG3 ARG A 50 11.889 -74.024 -19.752 1.00 63.42 H new ATOM 0 HD2 ARG A 50 12.355 -73.836 -22.200 1.00 31.41 H new ATOM 0 HD3 ARG A 50 13.118 -75.414 -22.172 1.00 31.41 H new ATOM 0 HE ARG A 50 10.357 -75.432 -21.181 1.00 52.04 H new ATOM 0 HH11 ARG A 50 12.450 -75.586 -24.024 1.00 12.14 H new ATOM 0 HH12 ARG A 50 11.274 -76.486 -24.988 1.00 12.14 H new ATOM 0 HH21 ARG A 50 8.842 -76.584 -22.450 1.00 70.43 H new ATOM 0 HH22 ARG A 50 9.251 -77.045 -24.105 1.00 70.43 H new ATOM 748 N LYS A 51 16.101 -71.995 -18.754 1.00 31.42 N ATOM 749 CA LYS A 51 17.421 -71.369 -18.846 1.00 51.24 C ATOM 750 C LYS A 51 18.308 -71.784 -17.674 1.00 43.40 C ATOM 751 O LYS A 51 19.413 -72.307 -17.859 1.00 4.25 O ATOM 752 CB LYS A 51 17.274 -69.843 -18.874 1.00 42.54 C ATOM 753 CG LYS A 51 18.594 -69.086 -19.018 1.00 63.21 C ATOM 754 CD LYS A 51 19.306 -69.424 -20.327 1.00 2.41 C ATOM 755 CE LYS A 51 20.597 -68.632 -20.499 1.00 61.10 C ATOM 756 NZ LYS A 51 20.348 -67.166 -20.519 1.00 63.52 N ATOM 0 H LYS A 51 15.322 -71.338 -18.794 1.00 31.42 H new ATOM 0 HA LYS A 51 17.895 -71.705 -19.768 1.00 51.24 H new ATOM 0 HB2 LYS A 51 16.619 -69.568 -19.701 1.00 42.54 H new ATOM 0 HB3 LYS A 51 16.782 -69.520 -17.957 1.00 42.54 H new ATOM 0 HG2 LYS A 51 18.404 -68.014 -18.975 1.00 63.21 H new ATOM 0 HG3 LYS A 51 19.245 -69.328 -18.178 1.00 63.21 H new ATOM 0 HD2 LYS A 51 19.529 -70.491 -20.353 1.00 2.41 H new ATOM 0 HD3 LYS A 51 18.640 -69.218 -21.165 1.00 2.41 H new ATOM 0 HE2 LYS A 51 21.282 -68.873 -19.686 1.00 61.10 H new ATOM 0 HE3 LYS A 51 21.085 -68.930 -21.427 1.00 61.10 H new ATOM 0 HZ1 LYS A 51 21.195 -66.675 -20.870 1.00 63.52 H new ATOM 0 HZ2 LYS A 51 19.544 -66.959 -21.145 1.00 63.52 H new ATOM 0 HZ3 LYS A 51 20.131 -66.838 -19.556 1.00 63.52 H new ATOM 770 N TYR A 52 17.799 -71.565 -16.469 1.00 33.33 N ATOM 771 CA TYR A 52 18.541 -71.870 -15.255 1.00 52.21 C ATOM 772 C TYR A 52 18.690 -73.376 -15.089 1.00 31.13 C ATOM 773 O TYR A 52 19.734 -73.857 -14.648 1.00 33.12 O ATOM 774 CB TYR A 52 17.843 -71.265 -14.031 1.00 51.11 C ATOM 775 CG TYR A 52 17.784 -69.746 -14.043 1.00 65.03 C ATOM 776 CD1 TYR A 52 16.935 -69.069 -14.913 1.00 31.11 C ATOM 777 CD2 TYR A 52 18.574 -68.989 -13.181 1.00 73.20 C ATOM 778 CE1 TYR A 52 16.874 -67.687 -14.924 1.00 52.05 C ATOM 779 CE2 TYR A 52 18.517 -67.607 -13.187 1.00 34.30 C ATOM 780 CZ TYR A 52 17.666 -66.961 -14.062 1.00 23.30 C ATOM 781 OH TYR A 52 17.604 -65.582 -14.073 1.00 53.21 O ATOM 0 H TYR A 52 16.870 -71.175 -16.307 1.00 33.33 H new ATOM 0 HA TYR A 52 19.534 -71.429 -15.339 1.00 52.21 H new ATOM 0 HB2 TYR A 52 16.828 -71.658 -13.973 1.00 51.11 H new ATOM 0 HB3 TYR A 52 18.363 -71.591 -13.130 1.00 51.11 H new ATOM 0 HD1 TYR A 52 16.312 -69.633 -15.592 1.00 31.11 H new ATOM 0 HD2 TYR A 52 19.242 -69.490 -12.496 1.00 73.20 H new ATOM 0 HE1 TYR A 52 16.208 -67.179 -15.606 1.00 52.05 H new ATOM 0 HE2 TYR A 52 19.135 -67.036 -12.510 1.00 34.30 H new ATOM 0 HH TYR A 52 18.224 -65.221 -13.405 1.00 53.21 H new ATOM 791 N THR A 53 17.641 -74.120 -15.443 1.00 44.10 N ATOM 792 CA THR A 53 17.667 -75.579 -15.362 1.00 3.41 C ATOM 793 C THR A 53 18.763 -76.148 -16.269 1.00 73.23 C ATOM 794 O THR A 53 19.493 -77.064 -15.885 1.00 72.33 O ATOM 795 CB THR A 53 16.295 -76.178 -15.753 1.00 45.12 C ATOM 796 OG1 THR A 53 15.260 -75.524 -15.005 1.00 53.20 O ATOM 797 CG2 THR A 53 16.244 -77.682 -15.487 1.00 71.23 C ATOM 0 H THR A 53 16.762 -73.734 -15.789 1.00 44.10 H new ATOM 0 HA THR A 53 17.884 -75.854 -14.330 1.00 3.41 H new ATOM 0 HB THR A 53 16.146 -76.019 -16.821 1.00 45.12 H new ATOM 0 HG1 THR A 53 15.645 -75.114 -14.203 1.00 53.20 H new ATOM 0 HG21 THR A 53 15.266 -78.069 -15.773 1.00 71.23 H new ATOM 0 HG22 THR A 53 17.017 -78.181 -16.071 1.00 71.23 H new ATOM 0 HG23 THR A 53 16.412 -77.870 -14.427 1.00 71.23 H new ATOM 805 N LYS A 54 18.888 -75.570 -17.460 1.00 52.34 N ATOM 806 CA LYS A 54 19.887 -75.994 -18.435 1.00 30.44 C ATOM 807 C LYS A 54 21.287 -75.672 -17.929 1.00 3.54 C ATOM 808 O LYS A 54 22.152 -76.542 -17.887 1.00 44.10 O ATOM 809 CB LYS A 54 19.638 -75.303 -19.784 1.00 40.44 C ATOM 810 CG LYS A 54 20.703 -75.594 -20.842 1.00 35.45 C ATOM 811 CD LYS A 54 20.430 -74.839 -22.142 1.00 30.33 C ATOM 812 CE LYS A 54 21.565 -75.011 -23.149 1.00 3.15 C ATOM 813 NZ LYS A 54 21.769 -76.434 -23.526 1.00 23.31 N ATOM 0 H LYS A 54 18.302 -74.797 -17.775 1.00 52.34 H new ATOM 0 HA LYS A 54 19.805 -77.072 -18.573 1.00 30.44 H new ATOM 0 HB2 LYS A 54 18.667 -75.616 -20.166 1.00 40.44 H new ATOM 0 HB3 LYS A 54 19.585 -74.226 -19.624 1.00 40.44 H new ATOM 0 HG2 LYS A 54 21.684 -75.314 -20.458 1.00 35.45 H new ATOM 0 HG3 LYS A 54 20.733 -76.665 -21.043 1.00 35.45 H new ATOM 0 HD2 LYS A 54 19.498 -75.196 -22.581 1.00 30.33 H new ATOM 0 HD3 LYS A 54 20.295 -73.779 -21.925 1.00 30.33 H new ATOM 0 HE2 LYS A 54 21.347 -74.428 -24.043 1.00 3.15 H new ATOM 0 HE3 LYS A 54 22.487 -74.613 -22.726 1.00 3.15 H new ATOM 0 HZ1 LYS A 54 22.478 -76.494 -24.285 1.00 23.31 H new ATOM 0 HZ2 LYS A 54 22.102 -76.968 -22.698 1.00 23.31 H new ATOM 0 HZ3 LYS A 54 20.870 -76.837 -23.860 1.00 23.31 H new ATOM 827 N LYS A 55 21.489 -74.418 -17.532 1.00 61.15 N ATOM 828 CA LYS A 55 22.784 -73.964 -17.029 1.00 23.30 C ATOM 829 C LYS A 55 23.235 -74.821 -15.841 1.00 15.04 C ATOM 830 O LYS A 55 24.358 -75.333 -15.817 1.00 2.24 O ATOM 831 CB LYS A 55 22.691 -72.486 -16.616 1.00 11.43 C ATOM 832 CG LYS A 55 24.003 -71.889 -16.107 1.00 64.44 C ATOM 833 CD LYS A 55 23.837 -70.424 -15.712 1.00 65.33 C ATOM 834 CE LYS A 55 25.121 -69.842 -15.128 1.00 14.41 C ATOM 835 NZ LYS A 55 26.246 -69.878 -16.098 1.00 63.50 N ATOM 0 H LYS A 55 20.770 -73.695 -17.549 1.00 61.15 H new ATOM 0 HA LYS A 55 23.524 -74.068 -17.823 1.00 23.30 H new ATOM 0 HB2 LYS A 55 22.348 -71.903 -17.471 1.00 11.43 H new ATOM 0 HB3 LYS A 55 21.934 -72.386 -15.838 1.00 11.43 H new ATOM 0 HG2 LYS A 55 24.355 -72.461 -15.248 1.00 64.44 H new ATOM 0 HG3 LYS A 55 24.766 -71.974 -16.880 1.00 64.44 H new ATOM 0 HD2 LYS A 55 23.540 -69.844 -16.586 1.00 65.33 H new ATOM 0 HD3 LYS A 55 23.033 -70.334 -14.982 1.00 65.33 H new ATOM 0 HE2 LYS A 55 24.943 -68.812 -14.819 1.00 14.41 H new ATOM 0 HE3 LYS A 55 25.397 -70.400 -14.233 1.00 14.41 H new ATOM 0 HZ1 LYS A 55 27.050 -69.339 -15.717 1.00 63.50 H new ATOM 0 HZ2 LYS A 55 26.535 -70.864 -16.258 1.00 63.50 H new ATOM 0 HZ3 LYS A 55 25.942 -69.456 -16.999 1.00 63.50 H new ATOM 849 N GLU A 56 22.333 -74.984 -14.876 1.00 61.35 N ATOM 850 CA GLU A 56 22.612 -75.741 -13.657 1.00 4.44 C ATOM 851 C GLU A 56 22.977 -77.186 -13.994 1.00 34.44 C ATOM 852 O GLU A 56 24.061 -77.669 -13.650 1.00 61.15 O ATOM 853 CB GLU A 56 21.378 -75.718 -12.738 1.00 12.34 C ATOM 854 CG GLU A 56 21.616 -76.303 -11.349 1.00 53.51 C ATOM 855 CD GLU A 56 22.507 -75.421 -10.483 1.00 25.14 C ATOM 856 OE1 GLU A 56 22.079 -74.297 -10.132 1.00 63.10 O ATOM 857 OE2 GLU A 56 23.633 -75.836 -10.157 1.00 24.04 O ATOM 0 H GLU A 56 21.390 -74.596 -14.916 1.00 61.35 H new ATOM 0 HA GLU A 56 23.456 -75.279 -13.145 1.00 4.44 H new ATOM 0 HB2 GLU A 56 21.038 -74.688 -12.632 1.00 12.34 H new ATOM 0 HB3 GLU A 56 20.572 -76.272 -13.219 1.00 12.34 H new ATOM 0 HG2 GLU A 56 20.657 -76.445 -10.850 1.00 53.51 H new ATOM 0 HG3 GLU A 56 22.073 -77.288 -11.448 1.00 53.51 H new ATOM 864 N ALA A 57 22.070 -77.860 -14.696 1.00 2.01 N ATOM 865 CA ALA A 57 22.228 -79.273 -15.017 1.00 74.43 C ATOM 866 C ALA A 57 23.466 -79.513 -15.875 1.00 71.13 C ATOM 867 O ALA A 57 24.210 -80.463 -15.642 1.00 12.10 O ATOM 868 CB ALA A 57 20.979 -79.800 -15.714 1.00 4.12 C ATOM 0 H ALA A 57 21.211 -77.444 -15.056 1.00 2.01 H new ATOM 0 HA ALA A 57 22.364 -79.818 -14.083 1.00 74.43 H new ATOM 0 HB1 ALA A 57 21.111 -80.856 -15.948 1.00 4.12 H new ATOM 0 HB2 ALA A 57 20.117 -79.679 -15.057 1.00 4.12 H new ATOM 0 HB3 ALA A 57 20.814 -79.242 -16.636 1.00 4.12 H new ATOM 874 N ASP A 58 23.696 -78.643 -16.854 1.00 44.45 N ATOM 875 CA ASP A 58 24.828 -78.801 -17.770 1.00 61.14 C ATOM 876 C ASP A 58 26.151 -78.606 -17.037 1.00 50.21 C ATOM 877 O ASP A 58 27.100 -79.368 -17.236 1.00 33.21 O ATOM 878 CB ASP A 58 24.729 -77.817 -18.941 1.00 0.41 C ATOM 879 CG ASP A 58 25.929 -77.895 -19.878 1.00 35.12 C ATOM 880 OD1 ASP A 58 26.119 -78.945 -20.531 1.00 32.14 O ATOM 881 OD2 ASP A 58 26.681 -76.904 -19.979 1.00 22.10 O ATOM 0 H ASP A 58 23.117 -77.823 -17.036 1.00 44.45 H new ATOM 0 HA ASP A 58 24.793 -79.816 -18.166 1.00 61.14 H new ATOM 0 HB2 ASP A 58 23.819 -78.020 -19.505 1.00 0.41 H new ATOM 0 HB3 ASP A 58 24.643 -76.803 -18.552 1.00 0.41 H new ATOM 886 N ALA A 59 26.202 -77.593 -16.174 1.00 41.11 N ATOM 887 CA ALA A 59 27.414 -77.285 -15.421 1.00 31.13 C ATOM 888 C ALA A 59 27.769 -78.423 -14.464 1.00 41.12 C ATOM 889 O ALA A 59 28.903 -78.907 -14.452 1.00 73.43 O ATOM 890 CB ALA A 59 27.243 -75.979 -14.654 1.00 33.22 C ATOM 0 H ALA A 59 25.417 -76.972 -15.979 1.00 41.11 H new ATOM 0 HA ALA A 59 28.234 -77.171 -16.130 1.00 31.13 H new ATOM 0 HB1 ALA A 59 28.155 -75.762 -14.097 1.00 33.22 H new ATOM 0 HB2 ALA A 59 27.045 -75.168 -15.355 1.00 33.22 H new ATOM 0 HB3 ALA A 59 26.407 -76.071 -13.960 1.00 33.22 H new ATOM 896 N LEU A 60 26.790 -78.864 -13.681 1.00 54.24 N ATOM 897 CA LEU A 60 27.008 -79.926 -12.696 1.00 74.52 C ATOM 898 C LEU A 60 26.984 -81.302 -13.371 1.00 2.20 C ATOM 899 O LEU A 60 27.373 -82.305 -12.772 1.00 5.04 O ATOM 900 CB LEU A 60 25.958 -79.848 -11.573 1.00 10.34 C ATOM 901 CG LEU A 60 26.159 -78.739 -10.520 1.00 60.33 C ATOM 902 CD1 LEU A 60 27.377 -79.031 -9.649 1.00 41.11 C ATOM 903 CD2 LEU A 60 26.285 -77.367 -11.175 1.00 51.52 C ATOM 0 H LEU A 60 25.836 -78.504 -13.707 1.00 54.24 H new ATOM 0 HA LEU A 60 27.993 -79.784 -12.250 1.00 74.52 H new ATOM 0 HB2 LEU A 60 24.978 -79.711 -12.031 1.00 10.34 H new ATOM 0 HB3 LEU A 60 25.937 -80.808 -11.058 1.00 10.34 H new ATOM 0 HG LEU A 60 25.275 -78.726 -9.883 1.00 60.33 H new ATOM 0 HD11 LEU A 60 27.498 -78.235 -8.914 1.00 41.11 H new ATOM 0 HD12 LEU A 60 27.237 -79.982 -9.134 1.00 41.11 H new ATOM 0 HD13 LEU A 60 28.268 -79.085 -10.275 1.00 41.11 H new ATOM 0 HD21 LEU A 60 26.426 -76.608 -10.405 1.00 51.52 H new ATOM 0 HD22 LEU A 60 27.141 -77.363 -11.849 1.00 51.52 H new ATOM 0 HD23 LEU A 60 25.378 -77.148 -11.739 1.00 51.52 H new ATOM 915 N SER A 61 26.523 -81.332 -14.619 1.00 74.52 N ATOM 916 CA SER A 61 26.540 -82.541 -15.441 1.00 3.53 C ATOM 917 C SER A 61 25.560 -83.599 -14.915 1.00 64.03 C ATOM 918 O SER A 61 25.914 -84.773 -14.770 1.00 34.12 O ATOM 919 CB SER A 61 27.964 -83.111 -15.529 1.00 74.53 C ATOM 920 OG SER A 61 28.881 -82.124 -15.982 1.00 63.03 O ATOM 0 H SER A 61 26.127 -80.519 -15.090 1.00 74.52 H new ATOM 0 HA SER A 61 26.213 -82.265 -16.443 1.00 3.53 H new ATOM 0 HB2 SER A 61 28.274 -83.478 -14.551 1.00 74.53 H new ATOM 0 HB3 SER A 61 27.977 -83.963 -16.208 1.00 74.53 H new ATOM 0 HG SER A 61 29.781 -82.510 -16.028 1.00 63.03 H new ATOM 926 N LEU A 62 24.322 -83.183 -14.643 1.00 73.12 N ATOM 927 CA LEU A 62 23.263 -84.126 -14.279 1.00 32.44 C ATOM 928 C LEU A 62 22.626 -84.697 -15.539 1.00 13.42 C ATOM 929 O LEU A 62 22.314 -83.956 -16.474 1.00 54.02 O ATOM 930 CB LEU A 62 22.164 -83.466 -13.418 1.00 62.02 C ATOM 931 CG LEU A 62 22.597 -82.958 -12.030 1.00 31.13 C ATOM 932 CD1 LEU A 62 23.457 -83.994 -11.316 1.00 22.14 C ATOM 933 CD2 LEU A 62 23.314 -81.621 -12.140 1.00 20.31 C ATOM 0 H LEU A 62 24.029 -82.206 -14.667 1.00 73.12 H new ATOM 0 HA LEU A 62 23.725 -84.918 -13.690 1.00 32.44 H new ATOM 0 HB2 LEU A 62 21.751 -82.626 -13.976 1.00 62.02 H new ATOM 0 HB3 LEU A 62 21.357 -84.186 -13.282 1.00 62.02 H new ATOM 0 HG LEU A 62 21.700 -82.803 -11.430 1.00 31.13 H new ATOM 0 HD11 LEU A 62 23.750 -83.612 -10.338 1.00 22.14 H new ATOM 0 HD12 LEU A 62 22.888 -84.915 -11.190 1.00 22.14 H new ATOM 0 HD13 LEU A 62 24.349 -84.197 -11.909 1.00 22.14 H new ATOM 0 HD21 LEU A 62 23.610 -81.284 -11.146 1.00 20.31 H new ATOM 0 HD22 LEU A 62 24.201 -81.734 -12.764 1.00 20.31 H new ATOM 0 HD23 LEU A 62 22.646 -80.886 -12.589 1.00 20.31 H new ATOM 945 N VAL A 63 22.439 -86.010 -15.565 1.00 63.31 N ATOM 946 CA VAL A 63 21.730 -86.660 -16.661 1.00 53.30 C ATOM 947 C VAL A 63 20.400 -87.198 -16.149 1.00 24.01 C ATOM 948 O VAL A 63 20.191 -87.304 -14.942 1.00 52.40 O ATOM 949 CB VAL A 63 22.554 -87.805 -17.309 1.00 11.42 C ATOM 950 CG1 VAL A 63 23.907 -87.286 -17.794 1.00 23.31 C ATOM 951 CG2 VAL A 63 22.725 -88.980 -16.349 1.00 10.23 C ATOM 0 H VAL A 63 22.768 -86.647 -14.839 1.00 63.31 H new ATOM 0 HA VAL A 63 21.563 -85.913 -17.437 1.00 53.30 H new ATOM 0 HB VAL A 63 22.000 -88.170 -18.174 1.00 11.42 H new ATOM 0 HG11 VAL A 63 24.470 -88.103 -18.245 1.00 23.31 H new ATOM 0 HG12 VAL A 63 23.752 -86.501 -18.534 1.00 23.31 H new ATOM 0 HG13 VAL A 63 24.466 -86.883 -16.949 1.00 23.31 H new ATOM 0 HG21 VAL A 63 23.306 -89.764 -16.834 1.00 10.23 H new ATOM 0 HG22 VAL A 63 23.245 -88.644 -15.452 1.00 10.23 H new ATOM 0 HG23 VAL A 63 21.745 -89.371 -16.075 1.00 10.23 H new ATOM 961 N GLY A 64 19.503 -87.515 -17.066 1.00 15.23 N ATOM 962 CA GLY A 64 18.186 -87.988 -16.694 1.00 55.25 C ATOM 963 C GLY A 64 17.135 -87.418 -17.616 1.00 30.41 C ATOM 964 O GLY A 64 17.281 -87.492 -18.840 1.00 63.55 O ATOM 0 H GLY A 64 19.664 -87.453 -18.071 1.00 15.23 H new ATOM 0 HA2 GLY A 64 18.160 -89.077 -16.734 1.00 55.25 H new ATOM 0 HA3 GLY A 64 17.968 -87.702 -15.665 1.00 55.25 H new ATOM 968 N TYR A 65 16.081 -86.841 -17.052 1.00 73.32 N ATOM 969 CA TYR A 65 15.045 -86.211 -17.868 1.00 13.32 C ATOM 970 C TYR A 65 14.120 -85.363 -17.011 1.00 31.43 C ATOM 971 O TYR A 65 13.932 -85.650 -15.838 1.00 30.44 O ATOM 972 CB TYR A 65 14.263 -87.276 -18.670 1.00 12.34 C ATOM 973 CG TYR A 65 12.793 -87.438 -18.312 1.00 12.32 C ATOM 974 CD1 TYR A 65 12.392 -88.243 -17.248 1.00 2.54 C ATOM 975 CD2 TYR A 65 11.806 -86.800 -19.058 1.00 43.24 C ATOM 976 CE1 TYR A 65 11.054 -88.403 -16.940 1.00 14.21 C ATOM 977 CE2 TYR A 65 10.469 -86.954 -18.752 1.00 74.34 C ATOM 978 CZ TYR A 65 10.097 -87.755 -17.694 1.00 4.14 C ATOM 979 OH TYR A 65 8.762 -87.912 -17.388 1.00 22.34 O ATOM 0 H TYR A 65 15.920 -86.795 -16.046 1.00 73.32 H new ATOM 0 HA TYR A 65 15.526 -85.544 -18.584 1.00 13.32 H new ATOM 0 HB2 TYR A 65 14.333 -87.028 -19.729 1.00 12.34 H new ATOM 0 HB3 TYR A 65 14.757 -88.238 -18.535 1.00 12.34 H new ATOM 0 HD1 TYR A 65 13.138 -88.750 -16.654 1.00 2.54 H new ATOM 0 HD2 TYR A 65 12.091 -86.174 -19.890 1.00 43.24 H new ATOM 0 HE1 TYR A 65 10.759 -89.032 -16.113 1.00 14.21 H new ATOM 0 HE2 TYR A 65 9.717 -86.449 -19.340 1.00 74.34 H new ATOM 0 HH TYR A 65 8.663 -88.072 -16.426 1.00 22.34 H new ATOM 989 N VAL A 66 13.571 -84.300 -17.588 1.00 23.54 N ATOM 990 CA VAL A 66 12.588 -83.485 -16.876 1.00 72.34 C ATOM 991 C VAL A 66 11.463 -83.080 -17.823 1.00 10.41 C ATOM 992 O VAL A 66 11.690 -82.933 -19.026 1.00 63.31 O ATOM 993 CB VAL A 66 13.234 -82.231 -16.208 1.00 1.11 C ATOM 994 CG1 VAL A 66 13.058 -80.964 -17.049 1.00 51.44 C ATOM 995 CG2 VAL A 66 12.685 -82.036 -14.795 1.00 12.42 C ATOM 0 H VAL A 66 13.785 -83.984 -18.534 1.00 23.54 H new ATOM 0 HA VAL A 66 12.175 -84.091 -16.070 1.00 72.34 H new ATOM 0 HB VAL A 66 14.307 -82.414 -16.144 1.00 1.11 H new ATOM 0 HG11 VAL A 66 13.525 -80.121 -16.539 1.00 51.44 H new ATOM 0 HG12 VAL A 66 13.528 -81.105 -18.022 1.00 51.44 H new ATOM 0 HG13 VAL A 66 11.996 -80.762 -17.185 1.00 51.44 H new ATOM 0 HG21 VAL A 66 13.146 -81.157 -14.344 1.00 12.42 H new ATOM 0 HG22 VAL A 66 11.605 -81.896 -14.840 1.00 12.42 H new ATOM 0 HG23 VAL A 66 12.912 -82.915 -14.192 1.00 12.42 H new ATOM 1005 N THR A 67 10.263 -82.917 -17.268 1.00 33.35 N ATOM 1006 CA THR A 67 9.080 -82.529 -18.034 1.00 62.00 C ATOM 1007 C THR A 67 8.001 -81.991 -17.098 1.00 43.22 C ATOM 1008 O THR A 67 8.045 -82.234 -15.892 1.00 43.20 O ATOM 1009 CB THR A 67 8.489 -83.721 -18.823 1.00 20.20 C ATOM 1010 OG1 THR A 67 7.406 -83.267 -19.647 1.00 12.03 O ATOM 1011 CG2 THR A 67 7.987 -84.811 -17.877 1.00 52.41 C ATOM 0 H THR A 67 10.084 -83.051 -16.273 1.00 33.35 H new ATOM 0 HA THR A 67 9.395 -81.760 -18.740 1.00 62.00 H new ATOM 0 HB THR A 67 9.278 -84.141 -19.447 1.00 20.20 H new ATOM 0 HG1 THR A 67 6.974 -84.037 -20.072 1.00 12.03 H new ATOM 0 HG21 THR A 67 7.577 -85.637 -18.458 1.00 52.41 H new ATOM 0 HG22 THR A 67 8.815 -85.173 -17.267 1.00 52.41 H new ATOM 0 HG23 THR A 67 7.211 -84.402 -17.230 1.00 52.41 H new ATOM 1019 N ASN A 68 7.034 -81.265 -17.650 1.00 24.14 N ATOM 1020 CA ASN A 68 5.888 -80.812 -16.870 1.00 73.40 C ATOM 1021 C ASN A 68 4.731 -81.787 -17.056 1.00 73.12 C ATOM 1022 O ASN A 68 4.742 -82.604 -17.979 1.00 10.52 O ATOM 1023 CB ASN A 68 5.448 -79.401 -17.285 1.00 71.15 C ATOM 1024 CG ASN A 68 4.333 -78.863 -16.396 1.00 11.14 C ATOM 1025 OD1 ASN A 68 4.322 -79.088 -15.188 1.00 14.14 O ATOM 1026 ND2 ASN A 68 3.367 -78.191 -16.989 1.00 71.23 N ATOM 0 H ASN A 68 7.021 -80.979 -18.629 1.00 24.14 H new ATOM 0 HA ASN A 68 6.182 -80.777 -15.821 1.00 73.40 H new ATOM 0 HB2 ASN A 68 6.304 -78.727 -17.240 1.00 71.15 H new ATOM 0 HB3 ASN A 68 5.109 -79.417 -18.321 1.00 71.15 H new ATOM 0 HD21 ASN A 68 2.580 -77.841 -16.443 1.00 71.23 H new ATOM 0 HD22 ASN A 68 3.406 -78.021 -17.994 1.00 71.23 H new ATOM 1033 N ASN A 69 3.740 -81.697 -16.181 1.00 74.00 N ATOM 1034 CA ASN A 69 2.552 -82.540 -16.252 1.00 52.24 C ATOM 1035 C ASN A 69 1.314 -81.666 -16.137 1.00 5.25 C ATOM 1036 O ASN A 69 1.364 -80.589 -15.530 1.00 52.52 O ATOM 1037 CB ASN A 69 2.550 -83.590 -15.128 1.00 72.13 C ATOM 1038 CG ASN A 69 3.692 -84.592 -15.229 1.00 72.22 C ATOM 1039 OD1 ASN A 69 4.122 -85.114 -14.091 1.00 2.34 O flip ATOM 1040 ND2 ASN A 69 4.178 -84.901 -16.316 1.00 31.15 N flip ATOM 0 H ASN A 69 3.735 -81.039 -15.402 1.00 74.00 H new ATOM 0 HA ASN A 69 2.553 -83.065 -17.207 1.00 52.24 H new ATOM 0 HB2 ASN A 69 2.608 -83.081 -14.166 1.00 72.13 H new ATOM 0 HB3 ASN A 69 1.602 -84.128 -15.147 1.00 72.13 H new ATOM 0 HD21 ASN A 69 3.821 -84.478 -17.173 1.00 31.15 H new ATOM 0 HD22 ASN A 69 4.938 -85.580 -16.360 1.00 31.15 H new ATOM 1047 N GLU A 70 0.205 -82.129 -16.707 1.00 63.52 N ATOM 1048 CA GLU A 70 -1.059 -81.394 -16.651 1.00 54.22 C ATOM 1049 C GLU A 70 -1.536 -81.227 -15.203 1.00 23.41 C ATOM 1050 O GLU A 70 -2.454 -80.455 -14.926 1.00 22.31 O ATOM 1051 CB GLU A 70 -2.126 -82.112 -17.486 1.00 35.24 C ATOM 1052 CG GLU A 70 -2.454 -83.519 -16.996 1.00 73.50 C ATOM 1053 CD GLU A 70 -3.444 -84.239 -17.897 1.00 44.50 C ATOM 1054 OE1 GLU A 70 -4.662 -83.976 -17.789 1.00 22.30 O ATOM 1055 OE2 GLU A 70 -3.008 -85.070 -18.722 1.00 32.11 O ATOM 0 H GLU A 70 0.154 -83.012 -17.215 1.00 63.52 H new ATOM 0 HA GLU A 70 -0.894 -80.400 -17.068 1.00 54.22 H new ATOM 0 HB2 GLU A 70 -3.038 -81.515 -17.482 1.00 35.24 H new ATOM 0 HB3 GLU A 70 -1.786 -82.168 -18.520 1.00 35.24 H new ATOM 0 HG2 GLU A 70 -1.535 -84.101 -16.935 1.00 73.50 H new ATOM 0 HG3 GLU A 70 -2.863 -83.462 -15.987 1.00 73.50 H new ATOM 1062 N ASP A 71 -0.901 -81.962 -14.285 1.00 53.44 N ATOM 1063 CA ASP A 71 -1.182 -81.836 -12.853 1.00 52.32 C ATOM 1064 C ASP A 71 -0.779 -80.454 -12.347 1.00 60.33 C ATOM 1065 O ASP A 71 -1.244 -80.003 -11.297 1.00 61.33 O ATOM 1066 CB ASP A 71 -0.403 -82.891 -12.046 1.00 72.43 C ATOM 1067 CG ASP A 71 -0.701 -84.322 -12.457 1.00 73.01 C ATOM 1068 OD1 ASP A 71 -1.787 -84.833 -12.117 1.00 23.34 O ATOM 1069 OD2 ASP A 71 0.161 -84.950 -13.107 1.00 44.11 O ATOM 0 H ASP A 71 -0.186 -82.653 -14.510 1.00 53.44 H new ATOM 0 HA ASP A 71 -2.253 -81.986 -12.717 1.00 52.32 H new ATOM 0 HB2 ASP A 71 0.665 -82.705 -12.160 1.00 72.43 H new ATOM 0 HB3 ASP A 71 -0.637 -82.771 -10.988 1.00 72.43 H new ATOM 1074 N GLY A 72 0.083 -79.780 -13.105 1.00 2.22 N ATOM 1075 CA GLY A 72 0.683 -78.544 -12.642 1.00 24.21 C ATOM 1076 C GLY A 72 1.929 -78.830 -11.832 1.00 64.40 C ATOM 1077 O GLY A 72 2.153 -78.240 -10.771 1.00 24.14 O ATOM 0 H GLY A 72 0.377 -80.072 -14.037 1.00 2.22 H new ATOM 0 HA2 GLY A 72 0.933 -77.913 -13.495 1.00 24.21 H new ATOM 0 HA3 GLY A 72 -0.033 -77.990 -12.035 1.00 24.21 H new ATOM 1081 N SER A 73 2.740 -79.752 -12.340 1.00 74.30 N ATOM 1082 CA SER A 73 3.921 -80.218 -11.631 1.00 53.52 C ATOM 1083 C SER A 73 4.999 -80.667 -12.614 1.00 5.24 C ATOM 1084 O SER A 73 4.712 -81.403 -13.561 1.00 20.32 O ATOM 1085 CB SER A 73 3.538 -81.380 -10.702 1.00 23.04 C ATOM 1086 OG SER A 73 2.925 -82.437 -11.425 1.00 33.31 O ATOM 0 H SER A 73 2.597 -80.193 -13.248 1.00 74.30 H new ATOM 0 HA SER A 73 4.321 -79.396 -11.038 1.00 53.52 H new ATOM 0 HB2 SER A 73 4.428 -81.752 -10.195 1.00 23.04 H new ATOM 0 HB3 SER A 73 2.857 -81.022 -9.930 1.00 23.04 H new ATOM 0 HG SER A 73 3.612 -83.064 -11.733 1.00 33.31 H new ATOM 1092 N VAL A 74 6.230 -80.230 -12.378 1.00 2.14 N ATOM 1093 CA VAL A 74 7.365 -80.626 -13.197 1.00 23.14 C ATOM 1094 C VAL A 74 8.032 -81.852 -12.579 1.00 45.15 C ATOM 1095 O VAL A 74 8.558 -81.790 -11.464 1.00 50.12 O ATOM 1096 CB VAL A 74 8.398 -79.474 -13.320 1.00 61.55 C ATOM 1097 CG1 VAL A 74 9.579 -79.886 -14.201 1.00 25.24 C ATOM 1098 CG2 VAL A 74 7.736 -78.203 -13.858 1.00 44.21 C ATOM 0 H VAL A 74 6.467 -79.594 -11.617 1.00 2.14 H new ATOM 0 HA VAL A 74 7.002 -80.864 -14.197 1.00 23.14 H new ATOM 0 HB VAL A 74 8.782 -79.261 -12.322 1.00 61.55 H new ATOM 0 HG11 VAL A 74 10.287 -79.060 -14.270 1.00 25.24 H new ATOM 0 HG12 VAL A 74 10.074 -80.753 -13.764 1.00 25.24 H new ATOM 0 HG13 VAL A 74 9.218 -80.139 -15.198 1.00 25.24 H new ATOM 0 HG21 VAL A 74 8.480 -77.410 -13.935 1.00 44.21 H new ATOM 0 HG22 VAL A 74 7.314 -78.402 -14.843 1.00 44.21 H new ATOM 0 HG23 VAL A 74 6.942 -77.891 -13.179 1.00 44.21 H new ATOM 1108 N SER A 75 7.981 -82.964 -13.297 1.00 24.41 N ATOM 1109 CA SER A 75 8.535 -84.228 -12.821 1.00 33.53 C ATOM 1110 C SER A 75 9.704 -84.670 -13.700 1.00 25.55 C ATOM 1111 O SER A 75 9.808 -84.266 -14.859 1.00 44.43 O ATOM 1112 CB SER A 75 7.440 -85.303 -12.806 1.00 45.42 C ATOM 1113 OG SER A 75 6.808 -85.413 -14.072 1.00 50.11 O ATOM 0 H SER A 75 7.557 -83.018 -14.223 1.00 24.41 H new ATOM 0 HA SER A 75 8.908 -84.087 -11.807 1.00 33.53 H new ATOM 0 HB2 SER A 75 7.874 -86.264 -12.529 1.00 45.42 H new ATOM 0 HB3 SER A 75 6.697 -85.058 -12.046 1.00 45.42 H new ATOM 0 HG SER A 75 5.841 -85.291 -13.967 1.00 50.11 H new ATOM 1119 N GLY A 76 10.576 -85.500 -13.145 1.00 32.44 N ATOM 1120 CA GLY A 76 11.718 -85.992 -13.883 1.00 51.54 C ATOM 1121 C GLY A 76 12.629 -86.844 -13.028 1.00 43.42 C ATOM 1122 O GLY A 76 12.247 -87.274 -11.938 1.00 53.55 O ATOM 0 H GLY A 76 10.510 -85.843 -12.187 1.00 32.44 H new ATOM 0 HA2 GLY A 76 11.373 -86.576 -14.736 1.00 51.54 H new ATOM 0 HA3 GLY A 76 12.281 -85.148 -14.282 1.00 51.54 H new ATOM 1126 N VAL A 77 13.835 -87.089 -13.527 1.00 42.05 N ATOM 1127 CA VAL A 77 14.827 -87.903 -12.837 1.00 43.44 C ATOM 1128 C VAL A 77 16.215 -87.293 -13.013 1.00 74.14 C ATOM 1129 O VAL A 77 16.574 -86.873 -14.123 1.00 42.33 O ATOM 1130 CB VAL A 77 14.852 -89.365 -13.366 1.00 53.04 C ATOM 1131 CG1 VAL A 77 15.865 -90.204 -12.591 1.00 73.25 C ATOM 1132 CG2 VAL A 77 13.465 -90.004 -13.304 1.00 44.22 C ATOM 0 H VAL A 77 14.153 -86.727 -14.426 1.00 42.05 H new ATOM 0 HA VAL A 77 14.550 -87.924 -11.783 1.00 43.44 H new ATOM 0 HB VAL A 77 15.158 -89.333 -14.412 1.00 53.04 H new ATOM 0 HG11 VAL A 77 15.865 -91.223 -12.978 1.00 73.25 H new ATOM 0 HG12 VAL A 77 16.859 -89.772 -12.706 1.00 73.25 H new ATOM 0 HG13 VAL A 77 15.595 -90.217 -11.535 1.00 73.25 H new ATOM 0 HG21 VAL A 77 13.518 -91.025 -13.681 1.00 44.22 H new ATOM 0 HG22 VAL A 77 13.116 -90.016 -12.272 1.00 44.22 H new ATOM 0 HG23 VAL A 77 12.771 -89.427 -13.915 1.00 44.22 H new ATOM 1142 N VAL A 78 16.971 -87.238 -11.913 1.00 11.12 N ATOM 1143 CA VAL A 78 18.353 -86.757 -11.917 1.00 13.11 C ATOM 1144 C VAL A 78 19.307 -87.903 -11.593 1.00 3.40 C ATOM 1145 O VAL A 78 19.046 -88.700 -10.685 1.00 63.53 O ATOM 1146 CB VAL A 78 18.570 -85.618 -10.884 1.00 55.53 C ATOM 1147 CG1 VAL A 78 20.045 -85.245 -10.770 1.00 52.34 C ATOM 1148 CG2 VAL A 78 17.738 -84.392 -11.242 1.00 23.42 C ATOM 0 H VAL A 78 16.640 -87.527 -10.993 1.00 11.12 H new ATOM 0 HA VAL A 78 18.556 -86.365 -12.914 1.00 13.11 H new ATOM 0 HB VAL A 78 18.239 -85.989 -9.914 1.00 55.53 H new ATOM 0 HG11 VAL A 78 20.163 -84.445 -10.039 1.00 52.34 H new ATOM 0 HG12 VAL A 78 20.617 -86.116 -10.450 1.00 52.34 H new ATOM 0 HG13 VAL A 78 20.411 -84.907 -11.740 1.00 52.34 H new ATOM 0 HG21 VAL A 78 17.908 -83.609 -10.503 1.00 23.42 H new ATOM 0 HG22 VAL A 78 18.029 -84.030 -12.228 1.00 23.42 H new ATOM 0 HG23 VAL A 78 16.681 -84.659 -11.251 1.00 23.42 H new ATOM 1158 N GLN A 79 20.404 -87.979 -12.337 1.00 61.04 N ATOM 1159 CA GLN A 79 21.416 -89.012 -12.140 1.00 72.34 C ATOM 1160 C GLN A 79 22.808 -88.383 -12.114 1.00 51.25 C ATOM 1161 O GLN A 79 23.036 -87.342 -12.738 1.00 1.41 O ATOM 1162 CB GLN A 79 21.357 -90.039 -13.273 1.00 75.34 C ATOM 1163 CG GLN A 79 19.969 -90.590 -13.556 1.00 65.40 C ATOM 1164 CD GLN A 79 19.940 -91.462 -14.795 1.00 13.34 C ATOM 1165 OE1 GLN A 79 19.657 -90.995 -15.896 1.00 12.03 O ATOM 1166 NE2 GLN A 79 20.276 -92.728 -14.626 1.00 41.24 N ATOM 0 H GLN A 79 20.618 -87.328 -13.093 1.00 61.04 H new ATOM 0 HA GLN A 79 21.218 -89.508 -11.190 1.00 72.34 H new ATOM 0 HB2 GLN A 79 21.744 -89.580 -14.183 1.00 75.34 H new ATOM 0 HB3 GLN A 79 22.020 -90.869 -13.028 1.00 75.34 H new ATOM 0 HG2 GLN A 79 19.628 -91.170 -12.698 1.00 65.40 H new ATOM 0 HG3 GLN A 79 19.270 -89.763 -13.680 1.00 65.40 H new ATOM 0 HE21 GLN A 79 20.504 -93.075 -13.694 1.00 41.24 H new ATOM 0 HE22 GLN A 79 20.308 -93.359 -15.427 1.00 41.24 H new ATOM 1175 N GLY A 80 23.729 -89.020 -11.402 1.00 73.20 N ATOM 1176 CA GLY A 80 25.104 -88.553 -11.355 1.00 70.11 C ATOM 1177 C GLY A 80 25.689 -88.699 -9.969 1.00 45.11 C ATOM 1178 O GLY A 80 25.076 -89.336 -9.113 1.00 30.00 O ATOM 0 H GLY A 80 23.547 -89.859 -10.851 1.00 73.20 H new ATOM 0 HA2 GLY A 80 25.706 -89.118 -12.067 1.00 70.11 H new ATOM 0 HA3 GLY A 80 25.145 -87.508 -11.661 1.00 70.11 H new ATOM 1182 N PRO A 81 26.882 -88.130 -9.714 1.00 21.24 N ATOM 1183 CA PRO A 81 27.489 -88.146 -8.380 1.00 24.25 C ATOM 1184 C PRO A 81 26.565 -87.508 -7.340 1.00 43.11 C ATOM 1185 O PRO A 81 25.940 -86.477 -7.604 1.00 61.12 O ATOM 1186 CB PRO A 81 28.785 -87.334 -8.548 1.00 14.12 C ATOM 1187 CG PRO A 81 28.636 -86.600 -9.842 1.00 1.43 C ATOM 1188 CD PRO A 81 27.734 -87.444 -10.701 1.00 73.32 C ATOM 0 HA PRO A 81 27.675 -89.158 -8.020 1.00 24.25 H new ATOM 0 HB2 PRO A 81 28.923 -86.641 -7.718 1.00 14.12 H new ATOM 0 HB3 PRO A 81 29.657 -87.987 -8.566 1.00 14.12 H new ATOM 0 HG2 PRO A 81 28.207 -85.611 -9.681 1.00 1.43 H new ATOM 0 HG3 PRO A 81 29.604 -86.454 -10.320 1.00 1.43 H new ATOM 0 HD2 PRO A 81 27.146 -86.836 -11.388 1.00 73.32 H new ATOM 0 HD3 PRO A 81 28.300 -88.152 -11.307 1.00 73.32 H new ATOM 1196 N LYS A 82 26.495 -88.123 -6.162 1.00 34.24 N ATOM 1197 CA LYS A 82 25.560 -87.710 -5.116 1.00 65.22 C ATOM 1198 C LYS A 82 25.669 -86.220 -4.792 1.00 10.03 C ATOM 1199 O LYS A 82 24.674 -85.583 -4.452 1.00 13.55 O ATOM 1200 CB LYS A 82 25.756 -88.568 -3.849 1.00 54.13 C ATOM 1201 CG LYS A 82 27.197 -88.647 -3.327 1.00 14.43 C ATOM 1202 CD LYS A 82 27.603 -87.450 -2.456 1.00 71.14 C ATOM 1203 CE LYS A 82 26.953 -87.475 -1.068 1.00 51.01 C ATOM 1204 NZ LYS A 82 25.503 -87.129 -1.094 1.00 4.33 N ATOM 0 H LYS A 82 27.081 -88.918 -5.905 1.00 34.24 H new ATOM 0 HA LYS A 82 24.553 -87.874 -5.498 1.00 65.22 H new ATOM 0 HB2 LYS A 82 25.122 -88.168 -3.058 1.00 54.13 H new ATOM 0 HB3 LYS A 82 25.407 -89.579 -4.057 1.00 54.13 H new ATOM 0 HG2 LYS A 82 27.315 -89.563 -2.748 1.00 14.43 H new ATOM 0 HG3 LYS A 82 27.878 -88.716 -4.175 1.00 14.43 H new ATOM 0 HD2 LYS A 82 28.687 -87.440 -2.344 1.00 71.14 H new ATOM 0 HD3 LYS A 82 27.326 -86.526 -2.965 1.00 71.14 H new ATOM 0 HE2 LYS A 82 27.076 -88.467 -0.634 1.00 51.01 H new ATOM 0 HE3 LYS A 82 27.476 -86.775 -0.416 1.00 51.01 H new ATOM 0 HZ1 LYS A 82 25.264 -86.570 -0.250 1.00 4.33 H new ATOM 0 HZ2 LYS A 82 25.294 -86.573 -1.948 1.00 4.33 H new ATOM 0 HZ3 LYS A 82 24.938 -88.002 -1.102 1.00 4.33 H new ATOM 1218 N GLU A 83 26.877 -85.669 -4.897 1.00 45.34 N ATOM 1219 CA GLU A 83 27.101 -84.253 -4.611 1.00 53.14 C ATOM 1220 C GLU A 83 26.463 -83.371 -5.685 1.00 41.52 C ATOM 1221 O GLU A 83 25.967 -82.281 -5.398 1.00 1.31 O ATOM 1222 CB GLU A 83 28.603 -83.964 -4.503 1.00 53.44 C ATOM 1223 CG GLU A 83 29.399 -84.373 -5.734 1.00 34.25 C ATOM 1224 CD GLU A 83 30.855 -83.944 -5.667 1.00 42.22 C ATOM 1225 OE1 GLU A 83 31.161 -82.796 -6.058 1.00 53.32 O ATOM 1226 OE2 GLU A 83 31.703 -84.755 -5.234 1.00 25.22 O ATOM 0 H GLU A 83 27.714 -86.180 -5.177 1.00 45.34 H new ATOM 0 HA GLU A 83 26.629 -84.018 -3.657 1.00 53.14 H new ATOM 0 HB2 GLU A 83 28.746 -82.898 -4.327 1.00 53.44 H new ATOM 0 HB3 GLU A 83 29.002 -84.487 -3.634 1.00 53.44 H new ATOM 0 HG2 GLU A 83 29.350 -85.456 -5.849 1.00 34.25 H new ATOM 0 HG3 GLU A 83 28.938 -83.937 -6.620 1.00 34.25 H new ATOM 1233 N GLN A 84 26.467 -83.856 -6.924 1.00 71.32 N ATOM 1234 CA GLN A 84 25.872 -83.129 -8.042 1.00 73.41 C ATOM 1235 C GLN A 84 24.349 -83.210 -7.980 1.00 4.41 C ATOM 1236 O GLN A 84 23.650 -82.217 -8.195 1.00 35.12 O ATOM 1237 CB GLN A 84 26.404 -83.675 -9.374 1.00 70.43 C ATOM 1238 CG GLN A 84 27.583 -82.881 -9.924 1.00 43.51 C ATOM 1239 CD GLN A 84 28.633 -82.573 -8.876 1.00 53.33 C ATOM 1240 OE1 GLN A 84 28.562 -81.555 -8.193 1.00 64.14 O ATOM 1241 NE2 GLN A 84 29.622 -83.433 -8.755 1.00 5.13 N ATOM 0 H GLN A 84 26.878 -84.754 -7.180 1.00 71.32 H new ATOM 0 HA GLN A 84 26.154 -82.079 -7.971 1.00 73.41 H new ATOM 0 HB2 GLN A 84 26.706 -84.713 -9.238 1.00 70.43 H new ATOM 0 HB3 GLN A 84 25.598 -83.671 -10.108 1.00 70.43 H new ATOM 0 HG2 GLN A 84 28.044 -83.442 -10.737 1.00 43.51 H new ATOM 0 HG3 GLN A 84 27.217 -81.946 -10.349 1.00 43.51 H new ATOM 0 HE21 GLN A 84 29.646 -84.268 -9.341 1.00 5.13 H new ATOM 0 HE22 GLN A 84 30.364 -83.265 -8.076 1.00 5.13 H new ATOM 1250 N VAL A 85 23.843 -84.403 -7.682 1.00 33.13 N ATOM 1251 CA VAL A 85 22.413 -84.597 -7.454 1.00 22.34 C ATOM 1252 C VAL A 85 21.970 -83.712 -6.291 1.00 73.43 C ATOM 1253 O VAL A 85 20.906 -83.093 -6.330 1.00 53.31 O ATOM 1254 CB VAL A 85 22.086 -86.085 -7.145 1.00 44.11 C ATOM 1255 CG1 VAL A 85 20.583 -86.290 -6.949 1.00 71.00 C ATOM 1256 CG2 VAL A 85 22.612 -86.992 -8.257 1.00 25.24 C ATOM 0 H VAL A 85 24.402 -85.251 -7.592 1.00 33.13 H new ATOM 0 HA VAL A 85 21.874 -84.321 -8.360 1.00 22.34 H new ATOM 0 HB VAL A 85 22.585 -86.353 -6.214 1.00 44.11 H new ATOM 0 HG11 VAL A 85 20.384 -87.340 -6.734 1.00 71.00 H new ATOM 0 HG12 VAL A 85 20.238 -85.678 -6.116 1.00 71.00 H new ATOM 0 HG13 VAL A 85 20.055 -85.999 -7.857 1.00 71.00 H new ATOM 0 HG21 VAL A 85 22.374 -88.030 -8.023 1.00 25.24 H new ATOM 0 HG22 VAL A 85 22.145 -86.717 -9.203 1.00 25.24 H new ATOM 0 HG23 VAL A 85 23.693 -86.877 -8.339 1.00 25.24 H new ATOM 1266 N ASP A 86 22.828 -83.640 -5.272 1.00 15.30 N ATOM 1267 CA ASP A 86 22.618 -82.756 -4.128 1.00 63.23 C ATOM 1268 C ASP A 86 22.567 -81.299 -4.583 1.00 64.31 C ATOM 1269 O ASP A 86 21.722 -80.528 -4.135 1.00 72.04 O ATOM 1270 CB ASP A 86 23.736 -82.950 -3.093 1.00 35.40 C ATOM 1271 CG ASP A 86 23.639 -81.984 -1.919 1.00 14.31 C ATOM 1272 OD1 ASP A 86 22.694 -82.110 -1.115 1.00 61.35 O ATOM 1273 OD2 ASP A 86 24.524 -81.110 -1.785 1.00 32.10 O ATOM 0 H ASP A 86 23.684 -84.191 -5.218 1.00 15.30 H new ATOM 0 HA ASP A 86 21.664 -83.009 -3.665 1.00 63.23 H new ATOM 0 HB2 ASP A 86 23.702 -83.973 -2.718 1.00 35.40 H new ATOM 0 HB3 ASP A 86 24.702 -82.822 -3.582 1.00 35.40 H new ATOM 1278 N ALA A 87 23.465 -80.931 -5.494 1.00 21.34 N ATOM 1279 CA ALA A 87 23.479 -79.585 -6.052 1.00 34.53 C ATOM 1280 C ALA A 87 22.133 -79.264 -6.691 1.00 20.20 C ATOM 1281 O ALA A 87 21.542 -78.206 -6.442 1.00 62.15 O ATOM 1282 CB ALA A 87 24.602 -79.448 -7.077 1.00 10.13 C ATOM 0 H ALA A 87 24.191 -81.547 -5.860 1.00 21.34 H new ATOM 0 HA ALA A 87 23.658 -78.874 -5.245 1.00 34.53 H new ATOM 0 HB1 ALA A 87 24.600 -78.437 -7.486 1.00 10.13 H new ATOM 0 HB2 ALA A 87 25.560 -79.643 -6.595 1.00 10.13 H new ATOM 0 HB3 ALA A 87 24.448 -80.165 -7.883 1.00 10.13 H new ATOM 1288 N PHE A 88 21.640 -80.201 -7.497 1.00 23.24 N ATOM 1289 CA PHE A 88 20.393 -80.008 -8.225 1.00 53.22 C ATOM 1290 C PHE A 88 19.199 -79.941 -7.269 1.00 41.43 C ATOM 1291 O PHE A 88 18.275 -79.152 -7.479 1.00 24.23 O ATOM 1292 CB PHE A 88 20.187 -81.127 -9.255 1.00 13.44 C ATOM 1293 CG PHE A 88 19.225 -80.757 -10.362 1.00 60.45 C ATOM 1294 CD1 PHE A 88 19.690 -80.145 -11.517 1.00 2.04 C ATOM 1295 CD2 PHE A 88 17.863 -81.015 -10.248 1.00 41.43 C ATOM 1296 CE1 PHE A 88 18.822 -79.801 -12.537 1.00 65.45 C ATOM 1297 CE2 PHE A 88 16.992 -80.671 -11.267 1.00 43.45 C ATOM 1298 CZ PHE A 88 17.472 -80.064 -12.412 1.00 72.11 C ATOM 0 H PHE A 88 22.088 -81.103 -7.661 1.00 23.24 H new ATOM 0 HA PHE A 88 20.461 -79.056 -8.752 1.00 53.22 H new ATOM 0 HB2 PHE A 88 21.150 -81.389 -9.693 1.00 13.44 H new ATOM 0 HB3 PHE A 88 19.817 -82.016 -8.745 1.00 13.44 H new ATOM 0 HD1 PHE A 88 20.744 -79.934 -11.621 1.00 2.04 H new ATOM 0 HD2 PHE A 88 17.481 -81.488 -9.355 1.00 41.43 H new ATOM 0 HE1 PHE A 88 19.200 -79.327 -13.431 1.00 65.45 H new ATOM 0 HE2 PHE A 88 15.937 -80.877 -11.167 1.00 43.45 H new ATOM 0 HZ PHE A 88 16.793 -79.796 -13.208 1.00 72.11 H new ATOM 1308 N VAL A 89 19.213 -80.764 -6.218 1.00 5.13 N ATOM 1309 CA VAL A 89 18.106 -80.778 -5.256 1.00 63.22 C ATOM 1310 C VAL A 89 18.076 -79.475 -4.454 1.00 22.42 C ATOM 1311 O VAL A 89 17.003 -78.936 -4.175 1.00 63.11 O ATOM 1312 CB VAL A 89 18.138 -82.011 -4.300 1.00 62.24 C ATOM 1313 CG1 VAL A 89 19.225 -81.886 -3.235 1.00 41.30 C ATOM 1314 CG2 VAL A 89 16.768 -82.234 -3.653 1.00 71.34 C ATOM 0 H VAL A 89 19.966 -81.421 -6.012 1.00 5.13 H new ATOM 0 HA VAL A 89 17.189 -80.864 -5.839 1.00 63.22 H new ATOM 0 HB VAL A 89 18.382 -82.882 -4.908 1.00 62.24 H new ATOM 0 HG11 VAL A 89 19.209 -82.767 -2.593 1.00 41.30 H new ATOM 0 HG12 VAL A 89 20.199 -81.806 -3.717 1.00 41.30 H new ATOM 0 HG13 VAL A 89 19.044 -80.996 -2.633 1.00 41.30 H new ATOM 0 HG21 VAL A 89 16.815 -83.099 -2.991 1.00 71.34 H new ATOM 0 HG22 VAL A 89 16.489 -81.351 -3.078 1.00 71.34 H new ATOM 0 HG23 VAL A 89 16.024 -82.411 -4.429 1.00 71.34 H new ATOM 1324 N LYS A 90 19.253 -78.954 -4.107 1.00 72.24 N ATOM 1325 CA LYS A 90 19.339 -77.654 -3.444 1.00 63.21 C ATOM 1326 C LYS A 90 18.743 -76.593 -4.362 1.00 31.12 C ATOM 1327 O LYS A 90 17.903 -75.789 -3.951 1.00 14.12 O ATOM 1328 CB LYS A 90 20.798 -77.303 -3.099 1.00 12.24 C ATOM 1329 CG LYS A 90 21.469 -78.284 -2.140 1.00 73.32 C ATOM 1330 CD LYS A 90 20.701 -78.417 -0.831 1.00 40.24 C ATOM 1331 CE LYS A 90 21.409 -79.345 0.147 1.00 1.53 C ATOM 1332 NZ LYS A 90 20.645 -79.508 1.410 1.00 60.33 N ATOM 0 H LYS A 90 20.152 -79.407 -4.272 1.00 72.24 H new ATOM 0 HA LYS A 90 18.780 -77.693 -2.509 1.00 63.21 H new ATOM 0 HB2 LYS A 90 21.377 -77.261 -4.021 1.00 12.24 H new ATOM 0 HB3 LYS A 90 20.826 -76.306 -2.659 1.00 12.24 H new ATOM 0 HG2 LYS A 90 21.546 -79.261 -2.616 1.00 73.32 H new ATOM 0 HG3 LYS A 90 22.485 -77.950 -1.932 1.00 73.32 H new ATOM 0 HD2 LYS A 90 20.582 -77.433 -0.377 1.00 40.24 H new ATOM 0 HD3 LYS A 90 19.700 -78.798 -1.034 1.00 40.24 H new ATOM 0 HE2 LYS A 90 21.553 -80.320 -0.318 1.00 1.53 H new ATOM 0 HE3 LYS A 90 22.399 -78.949 0.371 1.00 1.53 H new ATOM 0 HZ1 LYS A 90 21.161 -80.147 2.048 1.00 60.33 H new ATOM 0 HZ2 LYS A 90 20.529 -78.581 1.868 1.00 60.33 H new ATOM 0 HZ3 LYS A 90 19.709 -79.910 1.200 1.00 60.33 H new ATOM 1346 N TYR A 91 19.163 -76.642 -5.623 1.00 10.11 N ATOM 1347 CA TYR A 91 18.643 -75.768 -6.668 1.00 12.44 C ATOM 1348 C TYR A 91 17.121 -75.900 -6.780 1.00 44.40 C ATOM 1349 O TYR A 91 16.408 -74.912 -6.971 1.00 2.03 O ATOM 1350 CB TYR A 91 19.331 -76.121 -7.999 1.00 54.24 C ATOM 1351 CG TYR A 91 18.608 -75.644 -9.245 1.00 52.31 C ATOM 1352 CD1 TYR A 91 18.723 -74.331 -9.695 1.00 71.31 C ATOM 1353 CD2 TYR A 91 17.823 -76.524 -9.985 1.00 52.30 C ATOM 1354 CE1 TYR A 91 18.072 -73.914 -10.842 1.00 23.41 C ATOM 1355 CE2 TYR A 91 17.171 -76.111 -11.128 1.00 24.51 C ATOM 1356 CZ TYR A 91 17.300 -74.809 -11.553 1.00 4.44 C ATOM 1357 OH TYR A 91 16.659 -74.399 -12.701 1.00 53.33 O ATOM 0 H TYR A 91 19.877 -77.293 -5.949 1.00 10.11 H new ATOM 0 HA TYR A 91 18.859 -74.729 -6.417 1.00 12.44 H new ATOM 0 HB2 TYR A 91 20.335 -75.696 -7.995 1.00 54.24 H new ATOM 0 HB3 TYR A 91 19.444 -77.204 -8.056 1.00 54.24 H new ATOM 0 HD1 TYR A 91 19.329 -73.629 -9.141 1.00 71.31 H new ATOM 0 HD2 TYR A 91 17.723 -77.548 -9.658 1.00 52.30 H new ATOM 0 HE1 TYR A 91 18.168 -72.892 -11.179 1.00 23.41 H new ATOM 0 HE2 TYR A 91 16.562 -76.806 -11.687 1.00 24.51 H new ATOM 0 HH TYR A 91 16.063 -73.650 -12.493 1.00 53.33 H new ATOM 1367 N LEU A 92 16.630 -77.125 -6.640 1.00 51.34 N ATOM 1368 CA LEU A 92 15.201 -77.398 -6.740 1.00 60.14 C ATOM 1369 C LEU A 92 14.458 -76.769 -5.556 1.00 5.34 C ATOM 1370 O LEU A 92 13.349 -76.255 -5.706 1.00 21.55 O ATOM 1371 CB LEU A 92 14.954 -78.917 -6.796 1.00 42.10 C ATOM 1372 CG LEU A 92 13.892 -79.382 -7.809 1.00 14.12 C ATOM 1373 CD1 LEU A 92 12.541 -78.728 -7.537 1.00 1.11 C ATOM 1374 CD2 LEU A 92 14.358 -79.089 -9.233 1.00 4.50 C ATOM 0 H LEU A 92 17.203 -77.949 -6.456 1.00 51.34 H new ATOM 0 HA LEU A 92 14.819 -76.954 -7.659 1.00 60.14 H new ATOM 0 HB2 LEU A 92 15.896 -79.412 -7.032 1.00 42.10 H new ATOM 0 HB3 LEU A 92 14.656 -79.255 -5.804 1.00 42.10 H new ATOM 0 HG LEU A 92 13.764 -80.459 -7.696 1.00 14.12 H new ATOM 0 HD11 LEU A 92 11.814 -79.077 -8.270 1.00 1.11 H new ATOM 0 HD12 LEU A 92 12.203 -78.994 -6.535 1.00 1.11 H new ATOM 0 HD13 LEU A 92 12.639 -77.645 -7.612 1.00 1.11 H new ATOM 0 HD21 LEU A 92 13.599 -79.422 -9.940 1.00 4.50 H new ATOM 0 HD22 LEU A 92 14.518 -78.017 -9.350 1.00 4.50 H new ATOM 0 HD23 LEU A 92 15.291 -79.618 -9.427 1.00 4.50 H new ATOM 1386 N HIS A 93 15.083 -76.805 -4.380 1.00 5.42 N ATOM 1387 CA HIS A 93 14.492 -76.214 -3.176 1.00 23.34 C ATOM 1388 C HIS A 93 14.517 -74.688 -3.263 1.00 11.23 C ATOM 1389 O HIS A 93 13.724 -74.008 -2.608 1.00 14.15 O ATOM 1390 CB HIS A 93 15.227 -76.690 -1.911 1.00 35.40 C ATOM 1391 CG HIS A 93 14.880 -78.089 -1.487 1.00 30.45 C ATOM 1392 ND1 HIS A 93 15.041 -79.278 -2.115 1.00 2.31 N flip ATOM 1393 CD2 HIS A 93 14.319 -78.385 -0.264 1.00 73.34 C flip ATOM 1394 CE1 HIS A 93 14.590 -80.260 -1.267 1.00 65.23 C flip ATOM 1395 NE2 HIS A 93 14.159 -79.691 -0.157 1.00 2.30 N flip ATOM 0 H HIS A 93 15.996 -77.235 -4.233 1.00 5.42 H new ATOM 0 HA HIS A 93 13.455 -76.544 -3.111 1.00 23.34 H new ATOM 0 HB2 HIS A 93 16.301 -76.631 -2.085 1.00 35.40 H new ATOM 0 HB3 HIS A 93 14.998 -76.007 -1.093 1.00 35.40 H new ATOM 0 HD1 HIS A 93 15.427 -79.419 -3.049 1.00 2.31 H new ATOM 0 HD2 HIS A 93 14.051 -77.660 0.491 1.00 73.34 H new ATOM 0 HE1 HIS A 93 14.588 -81.320 -1.474 1.00 65.23 H new ATOM 1404 N LYS A 94 15.430 -74.156 -4.070 1.00 64.43 N ATOM 1405 CA LYS A 94 15.509 -72.715 -4.299 1.00 13.01 C ATOM 1406 C LYS A 94 14.258 -72.231 -5.027 1.00 4.10 C ATOM 1407 O LYS A 94 13.689 -71.186 -4.691 1.00 53.20 O ATOM 1408 CB LYS A 94 16.761 -72.373 -5.118 1.00 13.44 C ATOM 1409 CG LYS A 94 18.070 -72.719 -4.412 1.00 34.11 C ATOM 1410 CD LYS A 94 18.419 -71.713 -3.319 1.00 31.12 C ATOM 1411 CE LYS A 94 18.821 -70.364 -3.905 1.00 75.41 C ATOM 1412 NZ LYS A 94 20.018 -70.480 -4.782 1.00 1.31 N ATOM 0 H LYS A 94 16.127 -74.701 -4.577 1.00 64.43 H new ATOM 0 HA LYS A 94 15.574 -72.211 -3.335 1.00 13.01 H new ATOM 0 HB2 LYS A 94 16.719 -72.905 -6.068 1.00 13.44 H new ATOM 0 HB3 LYS A 94 16.754 -71.308 -5.349 1.00 13.44 H new ATOM 0 HG2 LYS A 94 17.993 -73.715 -3.976 1.00 34.11 H new ATOM 0 HG3 LYS A 94 18.877 -72.753 -5.143 1.00 34.11 H new ATOM 0 HD2 LYS A 94 17.563 -71.582 -2.657 1.00 31.12 H new ATOM 0 HD3 LYS A 94 19.235 -72.104 -2.711 1.00 31.12 H new ATOM 0 HE2 LYS A 94 17.989 -69.953 -4.477 1.00 75.41 H new ATOM 0 HE3 LYS A 94 19.029 -69.663 -3.096 1.00 75.41 H new ATOM 0 HZ1 LYS A 94 20.453 -69.543 -4.901 1.00 1.31 H new ATOM 0 HZ2 LYS A 94 20.705 -71.128 -4.347 1.00 1.31 H new ATOM 0 HZ3 LYS A 94 19.733 -70.850 -5.711 1.00 1.31 H new ATOM 1426 N GLY A 95 13.833 -73.009 -6.018 1.00 31.54 N ATOM 1427 CA GLY A 95 12.650 -72.672 -6.788 1.00 21.24 C ATOM 1428 C GLY A 95 12.919 -71.598 -7.829 1.00 10.52 C ATOM 1429 O GLY A 95 14.027 -71.061 -7.905 1.00 3.03 O ATOM 0 H GLY A 95 14.292 -73.874 -6.303 1.00 31.54 H new ATOM 0 HA2 GLY A 95 12.276 -73.568 -7.283 1.00 21.24 H new ATOM 0 HA3 GLY A 95 11.866 -72.330 -6.112 1.00 21.24 H new ATOM 1433 N SER A 96 11.907 -71.284 -8.631 1.00 75.45 N ATOM 1434 CA SER A 96 12.034 -70.266 -9.668 1.00 64.44 C ATOM 1435 C SER A 96 11.906 -68.863 -9.061 1.00 73.22 C ATOM 1436 O SER A 96 11.276 -68.698 -8.016 1.00 41.20 O ATOM 1437 CB SER A 96 10.973 -70.496 -10.747 1.00 73.31 C ATOM 1438 OG SER A 96 11.078 -71.801 -11.292 1.00 75.44 O ATOM 0 H SER A 96 10.987 -71.721 -8.582 1.00 75.45 H new ATOM 0 HA SER A 96 13.020 -70.342 -10.127 1.00 64.44 H new ATOM 0 HB2 SER A 96 9.980 -70.354 -10.321 1.00 73.31 H new ATOM 0 HB3 SER A 96 11.089 -69.757 -11.539 1.00 73.31 H new ATOM 0 HG SER A 96 11.967 -71.920 -11.688 1.00 75.44 H new ATOM 1444 N PRO A 97 12.505 -67.839 -9.713 1.00 15.32 N ATOM 1445 CA PRO A 97 12.539 -66.462 -9.188 1.00 63.34 C ATOM 1446 C PRO A 97 11.158 -65.935 -8.788 1.00 3.15 C ATOM 1447 O PRO A 97 10.957 -65.486 -7.657 1.00 13.01 O ATOM 1448 CB PRO A 97 13.109 -65.650 -10.361 1.00 53.52 C ATOM 1449 CG PRO A 97 13.917 -66.629 -11.140 1.00 13.42 C ATOM 1450 CD PRO A 97 13.203 -67.945 -11.013 1.00 51.42 C ATOM 0 HA PRO A 97 13.129 -66.397 -8.274 1.00 63.34 H new ATOM 0 HB2 PRO A 97 12.313 -65.220 -10.969 1.00 53.52 H new ATOM 0 HB3 PRO A 97 13.723 -64.821 -10.008 1.00 53.52 H new ATOM 0 HG2 PRO A 97 13.996 -66.327 -12.184 1.00 13.42 H new ATOM 0 HG3 PRO A 97 14.932 -66.696 -10.749 1.00 13.42 H new ATOM 0 HD2 PRO A 97 12.502 -68.101 -11.833 1.00 51.42 H new ATOM 0 HD3 PRO A 97 13.901 -68.782 -11.026 1.00 51.42 H new ATOM 1458 N LYS A 98 10.209 -65.985 -9.721 1.00 53.54 N ATOM 1459 CA LYS A 98 8.864 -65.469 -9.478 1.00 24.34 C ATOM 1460 C LYS A 98 7.815 -66.567 -9.656 1.00 74.31 C ATOM 1461 O LYS A 98 6.736 -66.510 -9.060 1.00 21.32 O ATOM 1462 CB LYS A 98 8.583 -64.273 -10.405 1.00 51.22 C ATOM 1463 CG LYS A 98 7.251 -63.578 -10.141 1.00 43.41 C ATOM 1464 CD LYS A 98 7.085 -63.127 -8.684 1.00 31.02 C ATOM 1465 CE LYS A 98 8.131 -62.100 -8.240 1.00 2.21 C ATOM 1466 NZ LYS A 98 9.442 -62.719 -7.892 1.00 75.23 N ATOM 0 H LYS A 98 10.347 -66.378 -10.652 1.00 53.54 H new ATOM 0 HA LYS A 98 8.803 -65.126 -8.445 1.00 24.34 H new ATOM 0 HB2 LYS A 98 9.388 -63.546 -10.296 1.00 51.22 H new ATOM 0 HB3 LYS A 98 8.602 -64.617 -11.439 1.00 51.22 H new ATOM 0 HG2 LYS A 98 7.165 -62.711 -10.795 1.00 43.41 H new ATOM 0 HG3 LYS A 98 6.437 -64.255 -10.400 1.00 43.41 H new ATOM 0 HD2 LYS A 98 6.090 -62.700 -8.555 1.00 31.02 H new ATOM 0 HD3 LYS A 98 7.144 -63.999 -8.033 1.00 31.02 H new ATOM 0 HE2 LYS A 98 8.279 -61.372 -9.038 1.00 2.21 H new ATOM 0 HE3 LYS A 98 7.752 -61.554 -7.376 1.00 2.21 H new ATOM 0 HZ1 LYS A 98 10.001 -62.052 -7.322 1.00 75.23 H new ATOM 0 HZ2 LYS A 98 9.281 -63.590 -7.347 1.00 75.23 H new ATOM 0 HZ3 LYS A 98 9.960 -62.948 -8.764 1.00 75.23 H new ATOM 1480 N SER A 99 8.130 -67.565 -10.476 1.00 22.33 N ATOM 1481 CA SER A 99 7.282 -68.741 -10.599 1.00 33.13 C ATOM 1482 C SER A 99 7.390 -69.566 -9.313 1.00 51.15 C ATOM 1483 O SER A 99 8.136 -70.546 -9.244 1.00 65.20 O ATOM 1484 CB SER A 99 7.696 -69.569 -11.823 1.00 24.15 C ATOM 1485 OG SER A 99 7.831 -68.747 -12.973 1.00 42.35 O ATOM 0 H SER A 99 8.964 -67.581 -11.063 1.00 22.33 H new ATOM 0 HA SER A 99 6.245 -68.438 -10.741 1.00 33.13 H new ATOM 0 HB2 SER A 99 8.640 -70.076 -11.621 1.00 24.15 H new ATOM 0 HB3 SER A 99 6.952 -70.343 -12.011 1.00 24.15 H new ATOM 0 HG SER A 99 8.097 -69.297 -13.739 1.00 42.35 H new ATOM 1491 N VAL A 100 6.678 -69.113 -8.284 1.00 74.22 N ATOM 1492 CA VAL A 100 6.747 -69.716 -6.955 1.00 45.42 C ATOM 1493 C VAL A 100 6.437 -71.212 -7.002 1.00 51.00 C ATOM 1494 O VAL A 100 5.552 -71.656 -7.742 1.00 74.34 O ATOM 1495 CB VAL A 100 5.776 -69.017 -5.967 1.00 21.34 C ATOM 1496 CG1 VAL A 100 5.880 -69.629 -4.570 1.00 13.01 C ATOM 1497 CG2 VAL A 100 6.047 -67.516 -5.919 1.00 20.43 C ATOM 0 H VAL A 100 6.039 -68.320 -8.347 1.00 74.22 H new ATOM 0 HA VAL A 100 7.769 -69.581 -6.601 1.00 45.42 H new ATOM 0 HB VAL A 100 4.759 -69.172 -6.327 1.00 21.34 H new ATOM 0 HG11 VAL A 100 5.189 -69.121 -3.898 1.00 13.01 H new ATOM 0 HG12 VAL A 100 5.627 -70.688 -4.617 1.00 13.01 H new ATOM 0 HG13 VAL A 100 6.898 -69.515 -4.198 1.00 13.01 H new ATOM 0 HG21 VAL A 100 5.356 -67.044 -5.221 1.00 20.43 H new ATOM 0 HG22 VAL A 100 7.071 -67.342 -5.590 1.00 20.43 H new ATOM 0 HG23 VAL A 100 5.907 -67.089 -6.912 1.00 20.43 H new ATOM 1507 N VAL A 101 7.182 -71.981 -6.219 1.00 73.33 N ATOM 1508 CA VAL A 101 6.967 -73.414 -6.111 1.00 33.12 C ATOM 1509 C VAL A 101 5.948 -73.712 -5.012 1.00 14.21 C ATOM 1510 O VAL A 101 5.942 -73.072 -3.958 1.00 71.23 O ATOM 1511 CB VAL A 101 8.288 -74.174 -5.827 1.00 1.53 C ATOM 1512 CG1 VAL A 101 9.258 -74.021 -6.998 1.00 0.11 C ATOM 1513 CG2 VAL A 101 8.928 -73.701 -4.519 1.00 23.20 C ATOM 0 H VAL A 101 7.948 -71.629 -5.644 1.00 73.33 H new ATOM 0 HA VAL A 101 6.581 -73.762 -7.069 1.00 33.12 H new ATOM 0 HB VAL A 101 8.052 -75.232 -5.715 1.00 1.53 H new ATOM 0 HG11 VAL A 101 10.179 -74.561 -6.780 1.00 0.11 H new ATOM 0 HG12 VAL A 101 8.804 -74.427 -7.902 1.00 0.11 H new ATOM 0 HG13 VAL A 101 9.483 -72.965 -7.148 1.00 0.11 H new ATOM 0 HG21 VAL A 101 9.853 -74.252 -4.346 1.00 23.20 H new ATOM 0 HG22 VAL A 101 9.147 -72.635 -4.586 1.00 23.20 H new ATOM 0 HG23 VAL A 101 8.240 -73.879 -3.692 1.00 23.20 H new ATOM 1523 N LYS A 102 5.077 -74.668 -5.281 1.00 25.24 N ATOM 1524 CA LYS A 102 4.035 -75.065 -4.346 1.00 22.23 C ATOM 1525 C LYS A 102 4.599 -76.051 -3.320 1.00 52.51 C ATOM 1526 O LYS A 102 4.451 -75.857 -2.111 1.00 64.20 O ATOM 1527 CB LYS A 102 2.870 -75.688 -5.127 1.00 14.41 C ATOM 1528 CG LYS A 102 1.641 -76.016 -4.287 1.00 2.24 C ATOM 1529 CD LYS A 102 0.537 -76.646 -5.133 1.00 35.55 C ATOM 1530 CE LYS A 102 0.086 -75.726 -6.269 1.00 34.44 C ATOM 1531 NZ LYS A 102 -1.010 -76.332 -7.074 1.00 11.03 N ATOM 0 H LYS A 102 5.071 -75.193 -6.155 1.00 25.24 H new ATOM 0 HA LYS A 102 3.669 -74.192 -3.806 1.00 22.23 H new ATOM 0 HB2 LYS A 102 2.577 -75.003 -5.923 1.00 14.41 H new ATOM 0 HB3 LYS A 102 3.220 -76.602 -5.606 1.00 14.41 H new ATOM 0 HG2 LYS A 102 1.919 -76.698 -3.484 1.00 2.24 H new ATOM 0 HG3 LYS A 102 1.267 -75.106 -3.817 1.00 2.24 H new ATOM 0 HD2 LYS A 102 0.893 -77.588 -5.550 1.00 35.55 H new ATOM 0 HD3 LYS A 102 -0.317 -76.881 -4.497 1.00 35.55 H new ATOM 0 HE2 LYS A 102 -0.251 -74.776 -5.854 1.00 34.44 H new ATOM 0 HE3 LYS A 102 0.934 -75.508 -6.918 1.00 34.44 H new ATOM 0 HZ1 LYS A 102 -1.286 -75.677 -7.833 1.00 11.03 H new ATOM 0 HZ2 LYS A 102 -0.681 -77.226 -7.491 1.00 11.03 H new ATOM 0 HZ3 LYS A 102 -1.830 -76.517 -6.461 1.00 11.03 H new ATOM 1545 N LYS A 103 5.257 -77.097 -3.819 1.00 12.03 N ATOM 1546 CA LYS A 103 5.908 -78.100 -2.976 1.00 72.44 C ATOM 1547 C LYS A 103 6.839 -78.966 -3.819 1.00 14.24 C ATOM 1548 O LYS A 103 6.535 -79.261 -4.977 1.00 53.50 O ATOM 1549 CB LYS A 103 4.869 -78.997 -2.281 1.00 61.22 C ATOM 1550 CG LYS A 103 5.497 -80.135 -1.474 1.00 3.35 C ATOM 1551 CD LYS A 103 4.467 -81.163 -1.018 1.00 22.31 C ATOM 1552 CE LYS A 103 5.135 -82.365 -0.354 1.00 15.43 C ATOM 1553 NZ LYS A 103 6.089 -83.050 -1.270 1.00 35.52 N ATOM 0 H LYS A 103 5.354 -77.273 -4.819 1.00 12.03 H new ATOM 0 HA LYS A 103 6.483 -77.576 -2.213 1.00 72.44 H new ATOM 0 HB2 LYS A 103 4.256 -78.386 -1.618 1.00 61.22 H new ATOM 0 HB3 LYS A 103 4.202 -79.419 -3.033 1.00 61.22 H new ATOM 0 HG2 LYS A 103 6.256 -80.630 -2.079 1.00 3.35 H new ATOM 0 HG3 LYS A 103 6.004 -79.722 -0.602 1.00 3.35 H new ATOM 0 HD2 LYS A 103 3.772 -80.698 -0.318 1.00 22.31 H new ATOM 0 HD3 LYS A 103 3.881 -81.497 -1.874 1.00 22.31 H new ATOM 0 HE2 LYS A 103 5.664 -82.037 0.541 1.00 15.43 H new ATOM 0 HE3 LYS A 103 4.371 -83.072 -0.032 1.00 15.43 H new ATOM 0 HZ1 LYS A 103 6.260 -84.019 -0.932 1.00 35.52 H new ATOM 0 HZ2 LYS A 103 5.687 -83.084 -2.228 1.00 35.52 H new ATOM 0 HZ3 LYS A 103 6.988 -82.527 -1.290 1.00 35.52 H new ATOM 1567 N VAL A 104 7.964 -79.369 -3.240 1.00 20.25 N ATOM 1568 CA VAL A 104 8.901 -80.272 -3.906 1.00 63.52 C ATOM 1569 C VAL A 104 8.726 -81.698 -3.371 1.00 23.40 C ATOM 1570 O VAL A 104 8.418 -81.897 -2.192 1.00 41.12 O ATOM 1571 CB VAL A 104 10.373 -79.811 -3.713 1.00 12.25 C ATOM 1572 CG1 VAL A 104 10.758 -79.785 -2.234 1.00 24.45 C ATOM 1573 CG2 VAL A 104 11.333 -80.693 -4.514 1.00 13.11 C ATOM 0 H VAL A 104 8.253 -79.083 -2.304 1.00 20.25 H new ATOM 0 HA VAL A 104 8.681 -80.254 -4.973 1.00 63.52 H new ATOM 0 HB VAL A 104 10.453 -78.793 -4.094 1.00 12.25 H new ATOM 0 HG11 VAL A 104 11.793 -79.459 -2.133 1.00 24.45 H new ATOM 0 HG12 VAL A 104 10.106 -79.094 -1.700 1.00 24.45 H new ATOM 0 HG13 VAL A 104 10.650 -80.784 -1.812 1.00 24.45 H new ATOM 0 HG21 VAL A 104 12.356 -80.349 -4.362 1.00 13.11 H new ATOM 0 HG22 VAL A 104 11.244 -81.726 -4.178 1.00 13.11 H new ATOM 0 HG23 VAL A 104 11.084 -80.633 -5.574 1.00 13.11 H new ATOM 1583 N SER A 105 8.889 -82.681 -4.251 1.00 70.15 N ATOM 1584 CA SER A 105 8.776 -84.087 -3.885 1.00 14.10 C ATOM 1585 C SER A 105 9.893 -84.876 -4.573 1.00 74.04 C ATOM 1586 O SER A 105 10.100 -84.739 -5.781 1.00 24.02 O ATOM 1587 CB SER A 105 7.397 -84.628 -4.289 1.00 4.52 C ATOM 1588 OG SER A 105 6.352 -83.834 -3.736 1.00 72.03 O ATOM 0 H SER A 105 9.103 -82.525 -5.236 1.00 70.15 H new ATOM 0 HA SER A 105 8.878 -84.196 -2.805 1.00 14.10 H new ATOM 0 HB2 SER A 105 7.312 -84.641 -5.376 1.00 4.52 H new ATOM 0 HB3 SER A 105 7.294 -85.659 -3.949 1.00 4.52 H new ATOM 0 HG SER A 105 5.484 -84.199 -4.009 1.00 72.03 H new ATOM 1594 N ILE A 106 10.629 -85.674 -3.803 1.00 60.24 N ATOM 1595 CA ILE A 106 11.743 -86.457 -4.340 1.00 10.30 C ATOM 1596 C ILE A 106 11.498 -87.949 -4.090 1.00 61.14 C ATOM 1597 O ILE A 106 10.812 -88.312 -3.126 1.00 52.41 O ATOM 1598 CB ILE A 106 13.094 -86.037 -3.698 1.00 72.12 C ATOM 1599 CG1 ILE A 106 13.245 -84.505 -3.684 1.00 61.14 C ATOM 1600 CG2 ILE A 106 14.260 -86.674 -4.450 1.00 61.45 C ATOM 1601 CD1 ILE A 106 13.288 -83.871 -5.061 1.00 61.02 C ATOM 0 H ILE A 106 10.475 -85.797 -2.802 1.00 60.24 H new ATOM 0 HA ILE A 106 11.801 -86.266 -5.412 1.00 10.30 H new ATOM 0 HB ILE A 106 13.103 -86.391 -2.667 1.00 72.12 H new ATOM 0 HG12 ILE A 106 12.415 -84.075 -3.124 1.00 61.14 H new ATOM 0 HG13 ILE A 106 14.159 -84.246 -3.149 1.00 61.14 H new ATOM 0 HG21 ILE A 106 15.200 -86.371 -3.989 1.00 61.45 H new ATOM 0 HG22 ILE A 106 14.170 -87.759 -4.409 1.00 61.45 H new ATOM 0 HG23 ILE A 106 14.244 -86.347 -5.490 1.00 61.45 H new ATOM 0 HD11 ILE A 106 13.396 -82.791 -4.961 1.00 61.02 H new ATOM 0 HD12 ILE A 106 14.135 -84.270 -5.619 1.00 61.02 H new ATOM 0 HD13 ILE A 106 12.364 -84.096 -5.594 1.00 61.02 H new ATOM 1613 N HIS A 107 12.058 -88.812 -4.944 1.00 62.33 N ATOM 1614 CA HIS A 107 11.818 -90.252 -4.838 1.00 42.21 C ATOM 1615 C HIS A 107 13.122 -91.050 -4.987 1.00 3.14 C ATOM 1616 O HIS A 107 14.008 -90.686 -5.761 1.00 44.31 O ATOM 1617 CB HIS A 107 10.785 -90.698 -5.885 1.00 1.15 C ATOM 1618 CG HIS A 107 10.012 -91.925 -5.492 1.00 52.33 C ATOM 1619 ND1 HIS A 107 10.287 -93.244 -5.650 1.00 63.51 N flip ATOM 1620 CD2 HIS A 107 8.788 -91.869 -4.857 1.00 51.43 C flip ATOM 1621 CE1 HIS A 107 9.236 -93.945 -5.114 1.00 61.40 C flip ATOM 1622 NE2 HIS A 107 8.348 -93.094 -4.642 1.00 21.31 N flip ATOM 0 H HIS A 107 12.675 -88.540 -5.709 1.00 62.33 H new ATOM 0 HA HIS A 107 11.420 -90.455 -3.844 1.00 42.21 H new ATOM 0 HB2 HIS A 107 10.086 -89.881 -6.062 1.00 1.15 H new ATOM 0 HB3 HIS A 107 11.297 -90.889 -6.828 1.00 1.15 H new ATOM 0 HD2 HIS A 107 8.270 -90.963 -4.579 1.00 51.43 H new ATOM 0 HE1 HIS A 107 9.151 -95.021 -5.084 1.00 61.40 H new ATOM 0 HE2 HIS A 107 7.469 -93.341 -4.187 1.00 21.31 H new ATOM 1631 N ALA A 108 13.183 -92.160 -4.255 1.00 62.21 N ATOM 1632 CA ALA A 108 14.380 -93.003 -4.103 1.00 71.54 C ATOM 1633 C ALA A 108 14.725 -93.843 -5.343 1.00 51.20 C ATOM 1634 O ALA A 108 15.616 -94.692 -5.279 1.00 13.21 O ATOM 1635 CB ALA A 108 14.215 -93.907 -2.888 1.00 1.01 C ATOM 0 H ALA A 108 12.381 -92.513 -3.734 1.00 62.21 H new ATOM 0 HA ALA A 108 15.219 -92.320 -3.968 1.00 71.54 H new ATOM 0 HB1 ALA A 108 15.102 -94.531 -2.776 1.00 1.01 H new ATOM 0 HB2 ALA A 108 14.086 -93.296 -1.995 1.00 1.01 H new ATOM 0 HB3 ALA A 108 13.339 -94.542 -3.023 1.00 1.01 H new ATOM 1641 N SER A 109 14.016 -93.639 -6.452 1.00 22.12 N ATOM 1642 CA SER A 109 14.079 -94.561 -7.591 1.00 13.31 C ATOM 1643 C SER A 109 15.498 -94.682 -8.160 1.00 70.35 C ATOM 1644 O SER A 109 16.217 -93.694 -8.306 1.00 20.01 O ATOM 1645 CB SER A 109 13.140 -94.066 -8.692 1.00 75.32 C ATOM 1646 OG SER A 109 11.798 -94.003 -8.229 1.00 74.32 O ATOM 0 H SER A 109 13.391 -92.845 -6.589 1.00 22.12 H new ATOM 0 HA SER A 109 13.776 -95.546 -7.236 1.00 13.31 H new ATOM 0 HB2 SER A 109 13.458 -93.080 -9.030 1.00 75.32 H new ATOM 0 HB3 SER A 109 13.200 -94.732 -9.553 1.00 75.32 H new ATOM 0 HG SER A 109 11.782 -93.634 -7.321 1.00 74.32 H new ATOM 1652 N SER A 110 15.868 -95.923 -8.481 1.00 53.15 N ATOM 1653 CA SER A 110 17.212 -96.272 -8.928 1.00 44.34 C ATOM 1654 C SER A 110 17.462 -95.855 -10.384 1.00 21.33 C ATOM 1655 O SER A 110 16.571 -95.324 -11.055 1.00 40.12 O ATOM 1656 CB SER A 110 17.421 -97.781 -8.747 1.00 20.12 C ATOM 1657 OG SER A 110 16.313 -98.510 -9.255 1.00 61.20 O ATOM 0 H SER A 110 15.234 -96.721 -8.436 1.00 53.15 H new ATOM 0 HA SER A 110 17.933 -95.724 -8.321 1.00 44.34 H new ATOM 0 HB2 SER A 110 18.331 -98.090 -9.260 1.00 20.12 H new ATOM 0 HB3 SER A 110 17.558 -98.009 -7.690 1.00 20.12 H new ATOM 0 HG SER A 110 16.468 -99.470 -9.131 1.00 61.20 H new ATOM 1663 N ARG A 111 18.687 -96.115 -10.860 1.00 10.21 N ATOM 1664 CA ARG A 111 19.151 -95.657 -12.170 1.00 70.34 C ATOM 1665 C ARG A 111 18.164 -96.005 -13.286 1.00 33.55 C ATOM 1666 O ARG A 111 17.807 -97.170 -13.472 1.00 43.23 O ATOM 1667 CB ARG A 111 20.516 -96.277 -12.504 1.00 25.13 C ATOM 1668 CG ARG A 111 21.250 -95.555 -13.636 1.00 15.51 C ATOM 1669 CD ARG A 111 22.300 -96.428 -14.319 1.00 32.52 C ATOM 1670 NE ARG A 111 21.696 -97.360 -15.281 1.00 21.10 N ATOM 1671 CZ ARG A 111 21.899 -97.305 -16.604 1.00 63.31 C ATOM 1672 NH1 ARG A 111 22.680 -96.367 -17.124 1.00 42.52 N ATOM 1673 NH2 ARG A 111 21.310 -98.185 -17.405 1.00 12.12 N ATOM 0 H ARG A 111 19.384 -96.651 -10.343 1.00 10.21 H new ATOM 0 HA ARG A 111 19.236 -94.572 -12.111 1.00 70.34 H new ATOM 0 HB2 ARG A 111 21.140 -96.266 -11.611 1.00 25.13 H new ATOM 0 HB3 ARG A 111 20.374 -97.322 -12.781 1.00 25.13 H new ATOM 0 HG2 ARG A 111 20.524 -95.222 -14.378 1.00 15.51 H new ATOM 0 HG3 ARG A 111 21.731 -94.662 -13.238 1.00 15.51 H new ATOM 0 HD2 ARG A 111 23.022 -95.793 -14.833 1.00 32.52 H new ATOM 0 HD3 ARG A 111 22.851 -96.991 -13.565 1.00 32.52 H new ATOM 0 HE ARG A 111 21.085 -98.093 -14.920 1.00 21.10 H new ATOM 0 HH11 ARG A 111 23.130 -95.683 -16.516 1.00 42.52 H new ATOM 0 HH12 ARG A 111 22.831 -96.330 -18.132 1.00 42.52 H new ATOM 0 HH21 ARG A 111 20.702 -98.904 -17.013 1.00 12.12 H new ATOM 0 HH22 ARG A 111 21.466 -98.142 -18.412 1.00 12.12 H new ATOM 1687 N VAL A 112 17.737 -94.983 -14.018 1.00 42.33 N ATOM 1688 CA VAL A 112 16.929 -95.154 -15.225 1.00 22.53 C ATOM 1689 C VAL A 112 17.755 -94.736 -16.438 1.00 21.24 C ATOM 1690 O VAL A 112 18.890 -94.282 -16.283 1.00 51.15 O ATOM 1691 CB VAL A 112 15.631 -94.307 -15.171 1.00 42.34 C ATOM 1692 CG1 VAL A 112 14.777 -94.697 -13.965 1.00 12.25 C ATOM 1693 CG2 VAL A 112 15.956 -92.812 -15.153 1.00 12.43 C ATOM 0 H VAL A 112 17.940 -94.009 -13.793 1.00 42.33 H new ATOM 0 HA VAL A 112 16.642 -96.203 -15.298 1.00 22.53 H new ATOM 0 HB VAL A 112 15.054 -94.514 -16.072 1.00 42.34 H new ATOM 0 HG11 VAL A 112 13.872 -94.090 -13.948 1.00 12.25 H new ATOM 0 HG12 VAL A 112 14.506 -95.750 -14.037 1.00 12.25 H new ATOM 0 HG13 VAL A 112 15.343 -94.530 -13.049 1.00 12.25 H new ATOM 0 HG21 VAL A 112 15.030 -92.239 -15.115 1.00 12.43 H new ATOM 0 HG22 VAL A 112 16.561 -92.582 -14.276 1.00 12.43 H new ATOM 0 HG23 VAL A 112 16.509 -92.549 -16.055 1.00 12.43 H new ATOM 1703 N ASP A 113 17.212 -94.901 -17.638 1.00 71.41 N ATOM 1704 CA ASP A 113 17.904 -94.438 -18.839 1.00 61.45 C ATOM 1705 C ASP A 113 17.456 -93.017 -19.178 1.00 54.52 C ATOM 1706 O ASP A 113 16.255 -92.744 -19.288 1.00 71.24 O ATOM 1707 CB ASP A 113 17.652 -95.374 -20.026 1.00 13.55 C ATOM 1708 CG ASP A 113 18.557 -95.047 -21.204 1.00 74.32 C ATOM 1709 OD1 ASP A 113 19.726 -95.487 -21.201 1.00 52.52 O ATOM 1710 OD2 ASP A 113 18.114 -94.340 -22.134 1.00 41.05 O ATOM 0 H ASP A 113 16.309 -95.344 -17.807 1.00 71.41 H new ATOM 0 HA ASP A 113 18.975 -94.441 -18.638 1.00 61.45 H new ATOM 0 HB2 ASP A 113 17.817 -96.406 -19.717 1.00 13.55 H new ATOM 0 HB3 ASP A 113 16.610 -95.296 -20.336 1.00 13.55 H new ATOM 1715 N ALA A 114 18.429 -92.125 -19.335 1.00 61.52 N ATOM 1716 CA ALA A 114 18.175 -90.696 -19.525 1.00 14.04 C ATOM 1717 C ALA A 114 17.452 -90.399 -20.838 1.00 42.21 C ATOM 1718 O ALA A 114 17.663 -91.077 -21.846 1.00 32.43 O ATOM 1719 CB ALA A 114 19.493 -89.931 -19.469 1.00 51.25 C ATOM 0 H ALA A 114 19.419 -92.371 -19.334 1.00 61.52 H new ATOM 0 HA ALA A 114 17.518 -90.370 -18.719 1.00 14.04 H new ATOM 0 HB1 ALA A 114 19.303 -88.867 -19.611 1.00 51.25 H new ATOM 0 HB2 ALA A 114 19.965 -90.089 -18.499 1.00 51.25 H new ATOM 0 HB3 ALA A 114 20.155 -90.289 -20.257 1.00 51.25 H new ATOM 1725 N ASP A 115 16.603 -89.371 -20.811 1.00 54.31 N ATOM 1726 CA ASP A 115 15.921 -88.880 -22.013 1.00 31.20 C ATOM 1727 C ASP A 115 16.381 -87.462 -22.328 1.00 74.33 C ATOM 1728 O ASP A 115 16.885 -87.185 -23.420 1.00 33.11 O ATOM 1729 CB ASP A 115 14.392 -88.880 -21.842 1.00 63.02 C ATOM 1730 CG ASP A 115 13.782 -90.273 -21.801 1.00 34.15 C ATOM 1731 OD1 ASP A 115 13.693 -90.918 -22.866 1.00 60.54 O ATOM 1732 OD2 ASP A 115 13.366 -90.717 -20.708 1.00 71.54 O ATOM 0 H ASP A 115 16.369 -88.857 -19.962 1.00 54.31 H new ATOM 0 HA ASP A 115 16.177 -89.553 -22.831 1.00 31.20 H new ATOM 0 HB2 ASP A 115 14.138 -88.354 -20.921 1.00 63.02 H new ATOM 0 HB3 ASP A 115 13.943 -88.320 -22.663 1.00 63.02 H new ATOM 1737 N GLY A 116 16.221 -86.572 -21.353 1.00 25.12 N ATOM 1738 CA GLY A 116 16.555 -85.168 -21.539 1.00 51.02 C ATOM 1739 C GLY A 116 15.715 -84.251 -20.663 1.00 52.42 C ATOM 1740 O GLY A 116 14.569 -84.565 -20.326 1.00 24.24 O ATOM 0 H GLY A 116 15.862 -86.801 -20.426 1.00 25.12 H new ATOM 0 HA2 GLY A 116 17.610 -85.015 -21.313 1.00 51.02 H new ATOM 0 HA3 GLY A 116 16.411 -84.899 -22.585 1.00 51.02 H new ATOM 1744 N PHE A 117 16.294 -83.127 -20.267 1.00 5.24 N ATOM 1745 CA PHE A 117 15.584 -82.135 -19.471 1.00 2.31 C ATOM 1746 C PHE A 117 14.919 -81.100 -20.380 1.00 32.41 C ATOM 1747 O PHE A 117 15.610 -80.314 -21.035 1.00 0.02 O ATOM 1748 CB PHE A 117 16.550 -81.433 -18.501 1.00 64.33 C ATOM 1749 CG PHE A 117 17.191 -82.352 -17.483 1.00 64.31 C ATOM 1750 CD1 PHE A 117 18.236 -83.193 -17.843 1.00 52.42 C ATOM 1751 CD2 PHE A 117 16.751 -82.370 -16.164 1.00 54.12 C ATOM 1752 CE1 PHE A 117 18.822 -84.032 -16.914 1.00 24.34 C ATOM 1753 CE2 PHE A 117 17.336 -83.209 -15.232 1.00 3.23 C ATOM 1754 CZ PHE A 117 18.372 -84.040 -15.609 1.00 43.44 C ATOM 0 H PHE A 117 17.259 -82.878 -20.485 1.00 5.24 H new ATOM 0 HA PHE A 117 14.814 -82.646 -18.894 1.00 2.31 H new ATOM 0 HB2 PHE A 117 17.336 -80.946 -19.079 1.00 64.33 H new ATOM 0 HB3 PHE A 117 16.009 -80.647 -17.974 1.00 64.33 H new ATOM 0 HD1 PHE A 117 18.595 -83.191 -18.862 1.00 52.42 H new ATOM 0 HD2 PHE A 117 15.942 -81.721 -15.863 1.00 54.12 H new ATOM 0 HE1 PHE A 117 19.633 -84.682 -17.209 1.00 24.34 H new ATOM 0 HE2 PHE A 117 16.983 -83.214 -14.211 1.00 3.23 H new ATOM 0 HZ PHE A 117 18.830 -84.696 -14.883 1.00 43.44 H new ATOM 1764 N GLU A 118 13.585 -81.103 -20.425 1.00 33.04 N ATOM 1765 CA GLU A 118 12.838 -80.124 -21.210 1.00 23.02 C ATOM 1766 C GLU A 118 11.382 -80.083 -20.759 1.00 63.02 C ATOM 1767 O GLU A 118 10.765 -81.124 -20.543 1.00 13.12 O ATOM 1768 CB GLU A 118 12.935 -80.448 -22.710 1.00 70.42 C ATOM 1769 CG GLU A 118 12.381 -81.814 -23.094 1.00 51.04 C ATOM 1770 CD GLU A 118 12.525 -82.103 -24.579 1.00 53.34 C ATOM 1771 OE1 GLU A 118 13.571 -82.646 -24.988 1.00 71.34 O ATOM 1772 OE2 GLU A 118 11.597 -81.776 -25.352 1.00 62.15 O ATOM 0 H GLU A 118 13.001 -81.774 -19.926 1.00 33.04 H new ATOM 0 HA GLU A 118 13.276 -79.140 -21.046 1.00 23.02 H new ATOM 0 HB2 GLU A 118 12.400 -79.681 -23.271 1.00 70.42 H new ATOM 0 HB3 GLU A 118 13.980 -80.394 -23.014 1.00 70.42 H new ATOM 0 HG2 GLU A 118 12.899 -82.586 -22.525 1.00 51.04 H new ATOM 0 HG3 GLU A 118 11.328 -81.867 -22.817 1.00 51.04 H new ATOM 1779 N ILE A 119 10.827 -78.885 -20.609 1.00 14.51 N ATOM 1780 CA ILE A 119 9.451 -78.751 -20.150 1.00 51.30 C ATOM 1781 C ILE A 119 8.482 -79.174 -21.249 1.00 62.21 C ATOM 1782 O ILE A 119 8.033 -78.361 -22.057 1.00 44.42 O ATOM 1783 CB ILE A 119 9.133 -77.309 -19.673 1.00 2.53 C ATOM 1784 CG1 ILE A 119 10.087 -76.912 -18.531 1.00 24.02 C ATOM 1785 CG2 ILE A 119 7.670 -77.190 -19.231 1.00 53.12 C ATOM 1786 CD1 ILE A 119 10.105 -77.896 -17.375 1.00 71.13 C ATOM 0 H ILE A 119 11.303 -78.003 -20.796 1.00 14.51 H new ATOM 0 HA ILE A 119 9.328 -79.411 -19.291 1.00 51.30 H new ATOM 0 HB ILE A 119 9.283 -76.623 -20.507 1.00 2.53 H new ATOM 0 HG12 ILE A 119 11.097 -76.817 -18.931 1.00 24.02 H new ATOM 0 HG13 ILE A 119 9.799 -75.930 -18.155 1.00 24.02 H new ATOM 0 HG21 ILE A 119 7.471 -76.170 -18.901 1.00 53.12 H new ATOM 0 HG22 ILE A 119 7.016 -77.434 -20.068 1.00 53.12 H new ATOM 0 HG23 ILE A 119 7.481 -77.881 -18.409 1.00 53.12 H new ATOM 0 HD11 ILE A 119 10.800 -77.547 -16.611 1.00 71.13 H new ATOM 0 HD12 ILE A 119 9.105 -77.974 -16.948 1.00 71.13 H new ATOM 0 HD13 ILE A 119 10.423 -78.875 -17.735 1.00 71.13 H new ATOM 1798 N ARG A 120 8.209 -80.472 -21.289 1.00 2.03 N ATOM 1799 CA ARG A 120 7.233 -81.037 -22.203 1.00 61.44 C ATOM 1800 C ARG A 120 5.837 -80.916 -21.612 1.00 32.31 C ATOM 1801 O ARG A 120 5.658 -80.997 -20.394 1.00 1.25 O ATOM 1802 CB ARG A 120 7.576 -82.502 -22.513 1.00 4.12 C ATOM 1803 CG ARG A 120 8.679 -82.651 -23.548 1.00 2.23 C ATOM 1804 CD ARG A 120 9.069 -84.110 -23.763 1.00 30.01 C ATOM 1805 NE ARG A 120 10.061 -84.255 -24.833 1.00 3.51 N ATOM 1806 CZ ARG A 120 10.462 -85.424 -25.337 1.00 12.41 C ATOM 1807 NH1 ARG A 120 10.039 -86.566 -24.812 1.00 3.32 N ATOM 1808 NH2 ARG A 120 11.307 -85.452 -26.356 1.00 2.32 N ATOM 0 H ARG A 120 8.660 -81.161 -20.687 1.00 2.03 H new ATOM 0 HA ARG A 120 7.259 -80.481 -23.140 1.00 61.44 H new ATOM 0 HB2 ARG A 120 7.880 -83.000 -21.592 1.00 4.12 H new ATOM 0 HB3 ARG A 120 6.680 -83.011 -22.870 1.00 4.12 H new ATOM 0 HG2 ARG A 120 8.349 -82.221 -24.494 1.00 2.23 H new ATOM 0 HG3 ARG A 120 9.554 -82.085 -23.229 1.00 2.23 H new ATOM 0 HD2 ARG A 120 9.471 -84.519 -22.836 1.00 30.01 H new ATOM 0 HD3 ARG A 120 8.181 -84.692 -24.009 1.00 30.01 H new ATOM 0 HE ARG A 120 10.472 -83.405 -25.218 1.00 3.51 H new ATOM 0 HH11 ARG A 120 9.401 -86.556 -24.016 1.00 3.32 H new ATOM 0 HH12 ARG A 120 10.351 -87.454 -25.204 1.00 3.32 H new ATOM 0 HH21 ARG A 120 11.652 -84.580 -26.756 1.00 2.32 H new ATOM 0 HH22 ARG A 120 11.613 -86.346 -26.740 1.00 2.32 H new ATOM 1822 N ARG A 121 4.864 -80.681 -22.478 1.00 14.01 N ATOM 1823 CA ARG A 121 3.482 -80.486 -22.056 1.00 75.33 C ATOM 1824 C ARG A 121 2.631 -81.690 -22.458 1.00 64.21 C ATOM 1825 O ARG A 121 2.267 -81.789 -23.648 1.00 51.44 O ATOM 1826 CB ARG A 121 2.920 -79.195 -22.672 1.00 72.42 C ATOM 1827 CG ARG A 121 3.620 -77.924 -22.199 1.00 14.51 C ATOM 1828 CD ARG A 121 2.996 -76.681 -22.819 1.00 12.45 C ATOM 1829 NE ARG A 121 3.631 -75.445 -22.353 1.00 4.53 N ATOM 1830 CZ ARG A 121 3.066 -74.590 -21.498 1.00 42.14 C ATOM 1831 NH1 ARG A 121 1.905 -74.887 -20.921 1.00 1.44 N ATOM 1832 NH2 ARG A 121 3.677 -73.450 -21.201 1.00 65.01 N ATOM 1833 OXT ARG A 121 2.335 -82.537 -21.584 1.00 0.00 O ATOM 0 H ARG A 121 5.006 -80.620 -23.486 1.00 14.01 H new ATOM 0 HA ARG A 121 3.453 -80.393 -20.970 1.00 75.33 H new ATOM 0 HB2 ARG A 121 2.999 -79.258 -23.757 1.00 72.42 H new ATOM 0 HB3 ARG A 121 1.859 -79.123 -22.433 1.00 72.42 H new ATOM 0 HG2 ARG A 121 3.562 -77.858 -21.113 1.00 14.51 H new ATOM 0 HG3 ARG A 121 4.677 -77.971 -22.460 1.00 14.51 H new ATOM 0 HD2 ARG A 121 3.076 -76.740 -23.904 1.00 12.45 H new ATOM 0 HD3 ARG A 121 1.933 -76.653 -22.579 1.00 12.45 H new ATOM 0 HE ARG A 121 4.563 -75.224 -22.704 1.00 4.53 H new ATOM 0 HH11 ARG A 121 1.443 -75.771 -21.131 1.00 1.44 H new ATOM 0 HH12 ARG A 121 1.477 -74.230 -20.268 1.00 1.44 H new ATOM 0 HH21 ARG A 121 4.577 -73.228 -21.626 1.00 65.01 H new ATOM 0 HH22 ARG A 121 3.246 -72.796 -20.548 1.00 65.01 H new TER 1847 ARG A 121